N-[6-oxo-1-propan-2-yl-3-(pyridin-2-ylmethyl)piperidin-3-yl]butanamide

C18H27N3O2 — CID 74221816

IUPACN-[6-oxo-1-propan-2-yl-3-(pyridin-2-ylmethyl)piperidin-3-yl]butanamide
SMILESCCCC(=O)NC1(Cc2ccccn2)CCC(=O)N(C(C)C)C1
InChIInChI=1S/C18H27N3O2/c1-4-7-16(22)20-18(12-15-8-5-6-11-19-15)10-9-17(23)21(13-18)14(2)3/h5-6,8,11,14H,4,7,9-10,12-13H2,1-3H3,(H,20,22)
InChIKeyLQMVPKGDRDCQAH-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.31
Rot. Bonds6

About N-[6-oxo-1-propan-2-yl-3-(pyridin-2-ylmethyl)piperidin-3-yl]butanamide

N-[6-oxo-1-propan-2-yl-3-(pyridin-2-ylmethyl)piperidin-3-yl]butanamide (PubChem CID 74221816) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[6-oxo-1-propan-2-yl-3-(pyridin-2-ylmethyl)piperidin-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-oxo-1-propan-2-yl-3-(pyridin-2-ylmethyl)piperidin-3-yl]butanamide
PubChem CID74221816
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[6-oxo-1-propan-2-yl-3-(pyridin-2-ylmethyl)piperidin-3-yl]butanamide
SMILESCCCC(=O)NC1(Cc2ccccn2)CCC(=O)N(C(C)C)C1
InChIInChI=1S/C18H27N3O2/c1-4-7-16(22)20-18(12-15-8-5-6-11-19-15)10-9-17(23)21(13-18)14(2)3/h5-6,8,11,14H,4,7,9-10,12-13H2,1-3H3,(H,20,22)
InChIKeyLQMVPKGDRDCQAH-UHFFFAOYSA-N
XLogP2.31
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[6-oxo-1-propan-2-yl-3-(pyridin-2-ylmethyl)piperidin-3-yl]acetamide
CID 74221911
N-[6-oxo-1-propan-2-yl-3-(pyridin-2-ylmethyl)piperidin-3-yl]morpholine-4-carboxamide
CID 74221907
2-amino-3-methyl-N-[1-propan-2-yl-4-(pyridin-2-ylmethyl)piperidin-4-yl]butanamide
CID 142327146
5-(methylamino)-N-[4-(pyridin-2-ylmethyl)piperidin-4-yl]pentanamide
CID 134435543
2-amino-N-[1-(1-methylsulfanylethyl)-4-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide
CID 134505885
N-ethyl-3-[3-oxo-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-8-yl]propanamide
CID 70743166
1-butan-2-yl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182112
N-(pyridin-2-ylmethoxy)butanamide;hydrochloride
CID 18406825
(6S)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 96580636
methyl 1-(pyridin-2-ylmethyl)cyclopropane-1-carboxylate
CID 116929876
N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]butanamide
CID 113012649
1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone
CID 159270457

Frequently Asked Questions

What is the IUPAC name of N-[6-oxo-1-propan-2-yl-3-(pyridin-2-ylmethyl)piperidin-3-yl]butanamide?
The IUPAC name of N-[6-oxo-1-propan-2-yl-3-(pyridin-2-ylmethyl)piperidin-3-yl]butanamide (CID 74221816) is N-[6-oxo-1-propan-2-yl-3-(pyridin-2-ylmethyl)piperidin-3-yl]butanamide.
What is the SMILES notation for N-[6-oxo-1-propan-2-yl-3-(pyridin-2-ylmethyl)piperidin-3-yl]butanamide?
The canonical SMILES for N-[6-oxo-1-propan-2-yl-3-(pyridin-2-ylmethyl)piperidin-3-yl]butanamide is CCCC(=O)NC1(Cc2ccccn2)CCC(=O)N(C(C)C)C1.
What is the InChIKey of N-[6-oxo-1-propan-2-yl-3-(pyridin-2-ylmethyl)piperidin-3-yl]butanamide?
The InChIKey is LQMVPKGDRDCQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-4-7-16(22)20-18(12-15-8-5-6-11-19-15)10-9-17(23)21(13-18)14(2)3/h5-6,8,11,14H,4,7,9-10,12-13H2,1-3H3,(H,20,22).
What are the key properties of N-[6-oxo-1-propan-2-yl-3-(pyridin-2-ylmethyl)piperidin-3-yl]butanamide?
N-[6-oxo-1-propan-2-yl-3-(pyridin-2-ylmethyl)piperidin-3-yl]butanamide has a molecular weight of 317.43 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-oxo-1-propan-2-yl-3-(pyridin-2-ylmethyl)piperidin-3-yl]butanamide is sourced from PubChem (CID 74221816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).