(2R)-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide

C19H25N3OS — CID 97215175

IUPAC(2R)-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide
SMILESC[C@H](C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1)c1cccs1
InChIInChI=1S/C19H25N3OS/c1-15(18-7-4-10-24-18)19(23)21-12-17-6-3-9-22(14-17)13-16-5-2-8-20-11-16/h2,4-5,7-8,10-11,15,17H,3,6,9,12-14H2,1H3,(H,21,23)/t15-,17-/m0/s1
InChIKeyZFNMOOUBKYDKNJ-RDJZCZTQSA-N
MW343.50 g/mol
LogP3.28
Rot. Bonds6

About (2R)-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide

(2R)-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide (PubChem CID 97215175) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is (2R)-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide
PubChem CID97215175
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name(2R)-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide
SMILESC[C@H](C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1)c1cccs1
InChIInChI=1S/C19H25N3OS/c1-15(18-7-4-10-24-18)19(23)21-12-17-6-3-9-22(14-17)13-16-5-2-8-20-11-16/h2,4-5,7-8,10-11,15,17H,3,6,9,12-14H2,1H3,(H,21,23)/t15-,17-/m0/s1
InChIKeyZFNMOOUBKYDKNJ-RDJZCZTQSA-N
XLogP3.28
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
trans-(1R,2R)-2-phenyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 97212321
(2S)-2-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pentanamide
CID 95318380
N-[[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 110008877
3-amino-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]butanamide;dihydrochloride
CID 120503386
N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-1H-indole-7-carboxamide
CID 96563164
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 155947567
N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 42404413
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
5-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-1,3,4-oxadiazol-2-amine
CID 154757683
3-methyl-N-[2-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]ethyl]pyridine-4-carboxamide
CID 95229690

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide?
The IUPAC name of (2R)-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide (CID 97215175) is (2R)-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide.
What is the SMILES notation for (2R)-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide?
The canonical SMILES for (2R)-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide is C[C@H](C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1)c1cccs1.
What is the InChIKey of (2R)-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide?
The InChIKey is ZFNMOOUBKYDKNJ-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-15(18-7-4-10-24-18)19(23)21-12-17-6-3-9-22(14-17)13-16-5-2-8-20-11-16/h2,4-5,7-8,10-11,15,17H,3,6,9,12-14H2,1H3,(H,21,23)/t15-,17-/m0/s1.
What are the key properties of (2R)-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide?
(2R)-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide has a molecular weight of 343.50 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide is sourced from PubChem (CID 97215175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).