(3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propylpiperidine-3-carboxamide

C19H24N2O3 — CID 94486704

IUPAC(3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propylpiperidine-3-carboxamide
SMILESCCCN(C(=O)[C@H]1CCC(=O)NC1)[C@H](C)c1cc2ccccc2o1
InChIInChI=1S/C19H24N2O3/c1-3-10-21(19(23)15-8-9-18(22)20-12-15)13(2)17-11-14-6-4-5-7-16(14)24-17/h4-7,11,13,15H,3,8-10,12H2,1-2H3,(H,20,22)/t13-,15+/m1/s1
InChIKeyZSKJKOOYMFAFKC-HIFRSBDPSA-N
MW328.41 g/mol
LogP3.26
Rot. Bonds5

About (3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propylpiperidine-3-carboxamide

(3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propylpiperidine-3-carboxamide (PubChem CID 94486704) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propylpiperidine-3-carboxamide
PubChem CID94486704
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propylpiperidine-3-carboxamide
SMILESCCCN(C(=O)[C@H]1CCC(=O)NC1)[C@H](C)c1cc2ccccc2o1
InChIInChI=1S/C19H24N2O3/c1-3-10-21(19(23)15-8-9-18(22)20-12-15)13(2)17-11-14-6-4-5-7-16(14)24-17/h4-7,11,13,15H,3,8-10,12H2,1-2H3,(H,20,22)/t13-,15+/m1/s1
InChIKeyZSKJKOOYMFAFKC-HIFRSBDPSA-N
XLogP3.26
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propylpiperidine-3-carboxamide (CID 94486704) is (3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propylpiperidine-3-carboxamide is CCCN(C(=O)[C@H]1CCC(=O)NC1)[C@H](C)c1cc2ccccc2o1.
What is the InChIKey of (3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propylpiperidine-3-carboxamide?
The InChIKey is ZSKJKOOYMFAFKC-HIFRSBDPSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-3-10-21(19(23)15-8-9-18(22)20-12-15)13(2)17-11-14-6-4-5-7-16(14)24-17/h4-7,11,13,15H,3,8-10,12H2,1-2H3,(H,20,22)/t13-,15+/m1/s1.
What are the key properties of (3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propylpiperidine-3-carboxamide?
(3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propylpiperidine-3-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 94486704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).