(2S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide

C19H24N2O3 — CID 94141438

IUPAC(2S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide
SMILESCCC(=O)N1CCCC[C@H]1C(=O)N[C@H](C)c1cc2ccccc2o1
InChIInChI=1S/C19H24N2O3/c1-3-18(22)21-11-7-6-9-15(21)19(23)20-13(2)17-12-14-8-4-5-10-16(14)24-17/h4-5,8,10,12-13,15H,3,6-7,9,11H2,1-2H3,(H,20,23)/t13-,15+/m1/s1
InChIKeyAPJTYLWVMDCOHA-HIFRSBDPSA-N
MW328.41 g/mol
LogP3.40
Rot. Bonds4

About (2S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide

(2S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide (PubChem CID 94141438) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide
PubChem CID94141438
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(2S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide
SMILESCCC(=O)N1CCCC[C@H]1C(=O)N[C@H](C)c1cc2ccccc2o1
InChIInChI=1S/C19H24N2O3/c1-3-18(22)21-11-7-6-9-15(21)19(23)20-13(2)17-12-14-8-4-5-10-16(14)24-17/h4-5,8,10,12-13,15H,3,6-7,9,11H2,1-2H3,(H,20,23)/t13-,15+/m1/s1
InChIKeyAPJTYLWVMDCOHA-HIFRSBDPSA-N
XLogP3.40
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide (CID 94141438) is (2S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide is CCC(=O)N1CCCC[C@H]1C(=O)N[C@H](C)c1cc2ccccc2o1.
What is the InChIKey of (2S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide?
The InChIKey is APJTYLWVMDCOHA-HIFRSBDPSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-3-18(22)21-11-7-6-9-15(21)19(23)20-13(2)17-12-14-8-4-5-10-16(14)24-17/h4-5,8,10,12-13,15H,3,6-7,9,11H2,1-2H3,(H,20,23)/t13-,15+/m1/s1.
What are the key properties of (2S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide?
(2S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide is sourced from PubChem (CID 94141438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).