3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide

C15H24N4O — CID 119841392

IUPAC3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide
SMILESCC(N)CC(=O)NCc1ccnc(N2CCCCC2)c1
InChIInChI=1S/C15H24N4O/c1-12(16)9-15(20)18-11-13-5-6-17-14(10-13)19-7-3-2-4-8-19/h5-6,10,12H,2-4,7-9,11,16H2,1H3,(H,18,20)
InChIKeyIOOFZBBVNPIKHK-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.43
Rot. Bonds5

About 3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide

3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide (PubChem CID 119841392) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide
PubChem CID119841392
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide
SMILESCC(N)CC(=O)NCc1ccnc(N2CCCCC2)c1
InChIInChI=1S/C15H24N4O/c1-12(16)9-15(20)18-11-13-5-6-17-14(10-13)19-7-3-2-4-8-19/h5-6,10,12H,2-4,7-9,11,16H2,1H3,(H,18,20)
InChIKeyIOOFZBBVNPIKHK-UHFFFAOYSA-N
XLogP1.43
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide
CID 120595080
3-amino-3-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119952941
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119841583
(2S)-2-amino-3,3-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119841552
4-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119841403
2-methyl-3-(methylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride
CID 119841377
2-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 52557964
2-amino-2-phenyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]acetamide
CID 119841340
1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 111504417
1-[(1-hydroxycycloheptyl)methyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 111426686
(2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 119901488
1-(4-hydroxy-2-methylpentyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 111454262

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide?
The IUPAC name of 3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide (CID 119841392) is 3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide.
What is the SMILES notation for 3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide?
The canonical SMILES for 3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide is CC(N)CC(=O)NCc1ccnc(N2CCCCC2)c1.
What is the InChIKey of 3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide?
The InChIKey is IOOFZBBVNPIKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12(16)9-15(20)18-11-13-5-6-17-14(10-13)19-7-3-2-4-8-19/h5-6,10,12H,2-4,7-9,11,16H2,1H3,(H,18,20).
What are the key properties of 3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide?
3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide has a molecular weight of 276.38 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide is sourced from PubChem (CID 119841392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).