trans-(1R,2R)-2-phenyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide

C22H27N3O — CID 97212321

IUPACtrans-(1R,2R)-2-phenyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
SMILESO=C(NC[C@@H]1CCCN(Cc2cccnc2)C1)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C22H27N3O/c26-22(21-12-20(21)19-8-2-1-3-9-19)24-14-18-7-5-11-25(16-18)15-17-6-4-10-23-13-17/h1-4,6,8-10,13,18,20-21H,5,7,11-12,14-16H2,(H,24,26)/t18-,20-,21+/m0/s1
InChIKeyZSPPPAPBYDCEDQ-SESVDKBCSA-N
MW349.48 g/mol
LogP3.21
Rot. Bonds6

About trans-(1R,2R)-2-phenyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-phenyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 97212321) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is trans-(1R,2R)-2-phenyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-phenyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
PubChem CID97212321
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Nametrans-(1R,2R)-2-phenyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
SMILESO=C(NC[C@@H]1CCCN(Cc2cccnc2)C1)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C22H27N3O/c26-22(21-12-20(21)19-8-2-1-3-9-19)24-14-18-7-5-11-25(16-18)15-17-6-4-10-23-13-17/h1-4,6,8-10,13,18,20-21H,5,7,11-12,14-16H2,(H,24,26)/t18-,20-,21+/m0/s1
InChIKeyZSPPPAPBYDCEDQ-SESVDKBCSA-N
XLogP3.21
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze trans-(1R,2R)-2-phenyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]cyclopropane-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

2,6-dimethyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 97227448
2-ethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 56714461
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 97202083
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
(2R)-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide
CID 97215175
(4R,4aR,8aR)-N-(cyclopropylmethyl)-6-(pyridin-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 97380950
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-1H-indole-7-carboxamide
CID 96563164
1-(4-benzylpiperazin-1-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propan-1-one
CID 45189885
(3S)-N-(cyclohexylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96572438
3-[(1-benzylpiperidin-3-yl)methylamino]pyridine-4-carboxylic acid
CID 71766726
N-[(1-benzylpiperidin-3-yl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 71877677

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-phenyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-phenyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide (CID 97212321) is trans-(1R,2R)-2-phenyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-phenyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-phenyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide is O=C(NC[C@@H]1CCCN(Cc2cccnc2)C1)[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of trans-(1R,2R)-2-phenyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is ZSPPPAPBYDCEDQ-SESVDKBCSA-N. The full InChI is InChI=1S/C22H27N3O/c26-22(21-12-20(21)19-8-2-1-3-9-19)24-14-18-7-5-11-25(16-18)15-17-6-4-10-23-13-17/h1-4,6,8-10,13,18,20-21H,5,7,11-12,14-16H2,(H,24,26)/t18-,20-,21+/m0/s1.
What are the key properties of trans-(1R,2R)-2-phenyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-phenyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-phenyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 97212321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).