4-(cyclopropanecarbonylamino)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide

C26H33N3O2 — CID 60515869

IUPAC4-(cyclopropanecarbonylamino)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCC1CC(C)CN(Cc2ccc(CNC(=O)c3ccc(NC(=O)C4CC4)cc3)cc2)C1
InChIInChI=1S/C26H33N3O2/c1-18-13-19(2)16-29(15-18)17-21-5-3-20(4-6-21)14-27-25(30)22-9-11-24(12-10-22)28-26(31)23-7-8-23/h3-6,9-12,18-19,23H,7-8,13-17H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyRJBAKBQELRJIDO-UHFFFAOYSA-N
MW419.57 g/mol
LogP4.44
Rot. Bonds7

About 4-(cyclopropanecarbonylamino)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide

4-(cyclopropanecarbonylamino)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide (PubChem CID 60515869) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
PubChem CID60515869
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Name4-(cyclopropanecarbonylamino)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCC1CC(C)CN(Cc2ccc(CNC(=O)c3ccc(NC(=O)C4CC4)cc3)cc2)C1
InChIInChI=1S/C26H33N3O2/c1-18-13-19(2)16-29(15-18)17-21-5-3-20(4-6-21)14-27-25(30)22-9-11-24(12-10-22)28-26(31)23-7-8-23/h3-6,9-12,18-19,23H,7-8,13-17H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyRJBAKBQELRJIDO-UHFFFAOYSA-N
XLogP4.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55845140
4-(difluoromethylsulfonyl)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 60515751
4-(acetamidomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]benzamide
CID 18140391
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 47042053
N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]acetamide
CID 26458271
cis-(1S,2R)-N-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 99845322
3-amino-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119848746
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3,4,5-trimethoxybenzamide
CID 55742851
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-(1,3-dithian-2-yl)benzamide
CID 24680771
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide
CID 47042015
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 55637021
4-(cyclopropanecarbonylamino)-N-[(3-methylphenyl)methyl]benzamide
CID 33279074

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide (CID 60515869) is 4-(cyclopropanecarbonylamino)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide is CC1CC(C)CN(Cc2ccc(CNC(=O)c3ccc(NC(=O)C4CC4)cc3)cc2)C1.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The InChIKey is RJBAKBQELRJIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-18-13-19(2)16-29(15-18)17-21-5-3-20(4-6-21)14-27-25(30)22-9-11-24(12-10-22)28-26(31)23-7-8-23/h3-6,9-12,18-19,23H,7-8,13-17H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 4-(cyclopropanecarbonylamino)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
4-(cyclopropanecarbonylamino)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide has a molecular weight of 419.57 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 60515869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).