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

C17H27N3O — CID 82737570

IUPACN-[(3-ethyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide
SMILESCCc1cccnc1CNC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C17H27N3O/c1-3-14-6-5-9-19-16(14)12-20-17(21)10-13(2)15-7-4-8-18-11-15/h5-6,9,13,15,18H,3-4,7-8,10-12H2,1-2H3,(H,20,21)
InChIKeyFFQPRDIVZGCAAI-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.29
Rot. Bonds6

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

N-[(3-ethyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide (PubChem CID 82737570) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[(3-ethyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[(3-ethyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide
PubChem CID82737570
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[(3-ethyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide
SMILESCCc1cccnc1CNC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C17H27N3O/c1-3-14-6-5-9-19-16(14)12-20-17(21)10-13(2)15-7-4-8-18-11-15/h5-6,9,13,15,18H,3-4,7-8,10-12H2,1-2H3,(H,20,21)
InChIKeyFFQPRDIVZGCAAI-UHFFFAOYSA-N
XLogP2.29
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119869388
N-[(2-methoxy-3-pyridinyl)methyl]-3-piperidin-3-ylbutanamide
CID 81049427
3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide
CID 81043996
3-piperidin-3-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride
CID 119847133
(3R)-N-[(3-ethyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 82737771
N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 81048441
3-piperidin-3-yl-N-pyrimidin-2-ylbutanamide
CID 81043820
N-(2-methyl-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81043884
N-[(2-nitrophenyl)methyl]-3-piperidin-3-ylbutanamide
CID 119706778
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-(3-chloro-2-pyridinyl)-3-piperidin-3-ylbutanamide
CID 103094136
N-(2-chloro-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81044263

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide (CID 82737570) is N-[(3-ethyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[(3-ethyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[(3-ethyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide is CCc1cccnc1CNC(=O)CC(C)C1CCCNC1.
What is the InChIKey of N-[(3-ethyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide?
The InChIKey is FFQPRDIVZGCAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-14-6-5-9-19-16(14)12-20-17(21)10-13(2)15-7-4-8-18-11-15/h5-6,9,13,15,18H,3-4,7-8,10-12H2,1-2H3,(H,20,21).
What are the key properties of N-[(3-ethyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide?
N-[(3-ethyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide has a molecular weight of 289.42 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 82737570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).