N-[(2-methoxy-3-pyridinyl)methyl]-3-piperidin-3-ylbutanamide

C16H25N3O2 — CID 81049427

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-3-piperidin-3-ylbutanamide
SMILESCOc1ncccc1CNC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C16H25N3O2/c1-12(13-5-3-7-17-10-13)9-15(20)19-11-14-6-4-8-18-16(14)21-2/h4,6,8,12-13,17H,3,5,7,9-11H2,1-2H3,(H,19,20)
InChIKeyRKJBCZOBDMUAOU-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.73
Rot. Bonds6

About N-[(2-methoxy-3-pyridinyl)methyl]-3-piperidin-3-ylbutanamide

N-[(2-methoxy-3-pyridinyl)methyl]-3-piperidin-3-ylbutanamide (PubChem CID 81049427) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-3-piperidin-3-ylbutanamide
PubChem CID81049427
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-3-piperidin-3-ylbutanamide
SMILESCOc1ncccc1CNC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C16H25N3O2/c1-12(13-5-3-7-17-10-13)9-15(20)19-11-14-6-4-8-18-16(14)21-2/h4,6,8,12-13,17H,3,5,7,9-11H2,1-2H3,(H,19,20)
InChIKeyRKJBCZOBDMUAOU-UHFFFAOYSA-N
XLogP1.73
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-piperidin-3-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride
CID 119847133
N-[(3-ethyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide
CID 82737570
N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 81048441
3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide
CID 81043996
N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119869388
(3S)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 81124657
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119900701
2-(azetidin-3-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 116675894
N-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 119703187
N-[(2-nitrophenyl)methyl]-3-piperidin-3-ylbutanamide
CID 119706778
N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119892786
3-piperidin-3-yl-N-pyrimidin-2-ylbutanamide
CID 81043820

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-3-piperidin-3-ylbutanamide (CID 81049427) is N-[(2-methoxy-3-pyridinyl)methyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-3-piperidin-3-ylbutanamide is COc1ncccc1CNC(=O)CC(C)C1CCCNC1.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-3-piperidin-3-ylbutanamide?
The InChIKey is RKJBCZOBDMUAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(13-5-3-7-17-10-13)9-15(20)19-11-14-6-4-8-18-16(14)21-2/h4,6,8,12-13,17H,3,5,7,9-11H2,1-2H3,(H,19,20).
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-3-piperidin-3-ylbutanamide?
N-[(2-methoxy-3-pyridinyl)methyl]-3-piperidin-3-ylbutanamide has a molecular weight of 291.39 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 81049427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).