trans-(1R,2R)-N-[3-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

C23H35N3O2 — CID 100853179

IUPACtrans-(1R,2R)-N-[3-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H](C)CN(Cc2ccc(CNC(=O)CCNC(=O)[C@@H]3C[C@H]3C)cc2)C1
InChIInChI=1S/C23H35N3O2/c1-16-10-17(2)14-26(13-16)15-20-6-4-19(5-7-20)12-25-22(27)8-9-24-23(28)21-11-18(21)3/h4-7,16-18,21H,8-15H2,1-3H3,(H,24,28)(H,25,27)/t16-,17+,18-,21-/m1/s1
InChIKeyYOKOGEWFEQKVJU-BMQTXXJKSA-N
MW385.55 g/mol
LogP2.94
Rot. Bonds8

About trans-(1R,2R)-N-[3-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[3-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 100853179) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is trans-(1R,2R)-N-[3-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[3-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
PubChem CID100853179
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Nametrans-(1R,2R)-N-[3-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H](C)CN(Cc2ccc(CNC(=O)CCNC(=O)[C@@H]3C[C@H]3C)cc2)C1
InChIInChI=1S/C23H35N3O2/c1-16-10-17(2)14-26(13-16)15-20-6-4-19(5-7-20)12-25-22(27)8-9-24-23(28)21-11-18(21)3/h4-7,16-18,21H,8-15H2,1-3H3,(H,24,28)(H,25,27)/t16-,17+,18-,21-/m1/s1
InChIKeyYOKOGEWFEQKVJU-BMQTXXJKSA-N
XLogP2.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze trans-(1R,2R)-N-[3-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1S,2R)-N-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 99845322
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-4-phenylbutanamide
CID 55742680
trans-(1S,2S)-2-methyl-N-[3-oxo-3-[(4-piperidin-1-ylphenyl)methylamino]propyl]cyclopropane-1-carboxamide
CID 95335504
trans-(1R,2R)-2-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 31592161
2-methyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 18119455
2-cyclopentyloxy-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 60515116
(2S,4S)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120633174
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 60515902
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide
CID 47042015
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-methylfuran-2-carboxamide
CID 47042036
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 60515754
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55742648

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[3-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[3-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (CID 100853179) is trans-(1R,2R)-N-[3-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[3-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[3-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is C[C@@H]1C[C@H](C)CN(Cc2ccc(CNC(=O)CCNC(=O)[C@@H]3C[C@H]3C)cc2)C1.
What is the InChIKey of trans-(1R,2R)-N-[3-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is YOKOGEWFEQKVJU-BMQTXXJKSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-16-10-17(2)14-26(13-16)15-20-6-4-19(5-7-20)12-25-22(27)8-9-24-23(28)21-11-18(21)3/h4-7,16-18,21H,8-15H2,1-3H3,(H,24,28)(H,25,27)/t16-,17+,18-,21-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[3-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[3-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 385.55 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[3-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 100853179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).