N-[(3-ethyl-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxamide

C17H27N3O — CID 82736217

IUPACN-[(3-ethyl-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)NCc2ncccc2CC)CCNCC1
InChIInChI=1S/C17H27N3O/c1-3-7-17(8-11-18-12-9-17)16(21)20-13-15-14(4-2)6-5-10-19-15/h5-6,10,18H,3-4,7-9,11-13H2,1-2H3,(H,20,21)
InChIKeyFFGAFJZQTSJXEB-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.43
Rot. Bonds6

About N-[(3-ethyl-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxamide

N-[(3-ethyl-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxamide (PubChem CID 82736217) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[(3-ethyl-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-ethyl-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxamide
PubChem CID82736217
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[(3-ethyl-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)NCc2ncccc2CC)CCNCC1
InChIInChI=1S/C17H27N3O/c1-3-7-17(8-11-18-12-9-17)16(21)20-13-15-14(4-2)6-5-10-19-15/h5-6,10,18H,3-4,7-9,11-13H2,1-2H3,(H,20,21)
InChIKeyFFGAFJZQTSJXEB-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-methyl-3-pyridinyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63129561
4-propyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
CID 63129181
N-[(4-fluorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127194
N-[(3-methylphenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63128555
3-propyl-N-(pyridazin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 106896186
2-(azetidin-3-yl)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82738136
N-[(3-chlorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127551
N-[(3-fluorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127726
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylpiperidine-4-carboxamide
CID 63280956
1-cyclopropyl-3-[(3-ethyl-2-pyridinyl)methyl]urea
CID 116657152
3-propyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 55176838
N-(2-phenoxyethyl)-4-propylpiperidine-4-carboxamide
CID 63129005

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxamide?
The IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxamide (CID 82736217) is N-[(3-ethyl-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(3-ethyl-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxamide?
The canonical SMILES for N-[(3-ethyl-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxamide is CCCC1(C(=O)NCc2ncccc2CC)CCNCC1.
What is the InChIKey of N-[(3-ethyl-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxamide?
The InChIKey is FFGAFJZQTSJXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-7-17(8-11-18-12-9-17)16(21)20-13-15-14(4-2)6-5-10-19-15/h5-6,10,18H,3-4,7-9,11-13H2,1-2H3,(H,20,21).
What are the key properties of N-[(3-ethyl-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxamide?
N-[(3-ethyl-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.43, 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]-4-propylpiperidine-4-carboxamide is sourced from PubChem (CID 82736217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).