N-cyclopropyl-3-[1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide

C17H25N3O — CID 45210494

IUPACN-cyclopropyl-3-[1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide
SMILESO=C(CCC1CCCN(Cc2ccncc2)C1)NC1CC1
InChIInChI=1S/C17H25N3O/c21-17(19-16-4-5-16)6-3-14-2-1-11-20(12-14)13-15-7-9-18-10-8-15/h7-10,14,16H,1-6,11-13H2,(H,19,21)
InChIKeyLBDILHJZVNJWJQ-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.35
Rot. Bonds6

About N-cyclopropyl-3-[1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide

N-cyclopropyl-3-[1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide (PubChem CID 45210494) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide
PubChem CID45210494
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-cyclopropyl-3-[1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide
SMILESO=C(CCC1CCCN(Cc2ccncc2)C1)NC1CC1
InChIInChI=1S/C17H25N3O/c21-17(19-16-4-5-16)6-3-14-2-1-11-20(12-14)13-15-7-9-18-10-8-15/h7-10,14,16H,1-6,11-13H2,(H,19,21)
InChIKeyLBDILHJZVNJWJQ-UHFFFAOYSA-N
XLogP2.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]propanamide
CID 42358991
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 62582223
3-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide
CID 45238209
4-[[3-(2-bromoethyl)piperidin-1-yl]methyl]pyridine
CID 80690340
3-[1-[(5-cyclohexylthiophen-2-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide
CID 56717845
4-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide
CID 120564614
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine
CID 54794504
N-cyclopropyl-3-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]propanamide
CID 45180081
N-cyclopropyl-3-[(3R)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide
CID 26318359
N-cyclopropyl-3-[(3R)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]propanamide
CID 42514353
4-[(3-fluoropiperidin-1-yl)methyl]pyridine
CID 171701781
4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 25289047

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide (CID 45210494) is N-cyclopropyl-3-[1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide is O=C(CCC1CCCN(Cc2ccncc2)C1)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide?
The InChIKey is LBDILHJZVNJWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c21-17(19-16-4-5-16)6-3-14-2-1-11-20(12-14)13-15-7-9-18-10-8-15/h7-10,14,16H,1-6,11-13H2,(H,19,21).
What are the key properties of N-cyclopropyl-3-[1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide?
N-cyclopropyl-3-[1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide has a molecular weight of 287.41 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 45210494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).