2-(1-ethylpiperidin-4-yl)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]acetamide

C19H31N3O — CID 97203687

IUPAC2-(1-ethylpiperidin-4-yl)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]acetamide
SMILESCCN1CCC(CC(=O)N[C@@H](CC(C)C)c2cccnc2)CC1
InChIInChI=1S/C19H31N3O/c1-4-22-10-7-16(8-11-22)13-19(23)21-18(12-15(2)3)17-6-5-9-20-14-17/h5-6,9,14-16,18H,4,7-8,10-13H2,1-3H3,(H,21,23)/t18-/m0/s1
InChIKeyCRLYTOPDGCXJIF-SFHVURJKSA-N
MW317.48 g/mol
LogP3.41
Rot. Bonds7

About 2-(1-ethylpiperidin-4-yl)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]acetamide

2-(1-ethylpiperidin-4-yl)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]acetamide (PubChem CID 97203687) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]acetamide.

Molecular Properties

Compound Name2-(1-ethylpiperidin-4-yl)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]acetamide
PubChem CID97203687
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name2-(1-ethylpiperidin-4-yl)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]acetamide
SMILESCCN1CCC(CC(=O)N[C@@H](CC(C)C)c2cccnc2)CC1
InChIInChI=1S/C19H31N3O/c1-4-22-10-7-16(8-11-22)13-19(23)21-18(12-15(2)3)17-6-5-9-20-14-17/h5-6,9,14-16,18H,4,7-8,10-13H2,1-3H3,(H,21,23)/t18-/m0/s1
InChIKeyCRLYTOPDGCXJIF-SFHVURJKSA-N
XLogP3.41
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylpiperidin-4-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)acetamide
CID 72884358
2-(1-ethylpiperidin-4-yl)-N-[phenyl(pyridin-4-yl)methyl]acetamide
CID 72915989
(E)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]hex-3-enamide
CID 124756065
2-(1-ethylpiperidin-4-yl)-N-(1-pyrazin-2-ylpropan-2-yl)acetamide
CID 72847502
2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-fluorophenyl)propyl]acetamide
CID 97205946
N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 125168942
2-(cyclopropylmethylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404899
2-(3-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)acetamide
CID 118774275
4-(3-hydroxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidine-1-carboxamide
CID 122557396
N-benzhydryl-2-[1-[(E)-3-pyridin-3-ylprop-2-enyl]piperidin-4-yl]acetamide
CID 10320217
N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 125165548
2-(1-ethylpiperidin-4-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 72845666

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-4-yl)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]acetamide?
The IUPAC name of 2-(1-ethylpiperidin-4-yl)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]acetamide (CID 97203687) is 2-(1-ethylpiperidin-4-yl)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]acetamide.
What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]acetamide?
The canonical SMILES for 2-(1-ethylpiperidin-4-yl)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]acetamide is CCN1CCC(CC(=O)N[C@@H](CC(C)C)c2cccnc2)CC1.
What is the InChIKey of 2-(1-ethylpiperidin-4-yl)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]acetamide?
The InChIKey is CRLYTOPDGCXJIF-SFHVURJKSA-N. The full InChI is InChI=1S/C19H31N3O/c1-4-22-10-7-16(8-11-22)13-19(23)21-18(12-15(2)3)17-6-5-9-20-14-17/h5-6,9,14-16,18H,4,7-8,10-13H2,1-3H3,(H,21,23)/t18-/m0/s1.
What are the key properties of 2-(1-ethylpiperidin-4-yl)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]acetamide?
2-(1-ethylpiperidin-4-yl)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]acetamide has a molecular weight of 317.48 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-4-yl)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]acetamide is sourced from PubChem (CID 97203687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).