(3S)-1-(furan-2-carbonyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide

C23H28N2O3 — CID 32621939

IUPAC(3S)-1-(furan-2-carbonyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H28N2O3/c1-16(18-11-10-17-6-2-3-7-19(17)14-18)24-22(26)20-8-4-12-25(15-20)23(27)21-9-5-13-28-21/h5,9-11,13-14,16,20H,2-4,6-8,12,15H2,1H3,(H,24,26)/t16-,20-/m0/s1
InChIKeyQKKPBVZDKATYEW-JXFKEZNVSA-N
MW380.49 g/mol
LogP3.89
Rot. Bonds4

About (3S)-1-(furan-2-carbonyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide

(3S)-1-(furan-2-carbonyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide (PubChem CID 32621939) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is (3S)-1-(furan-2-carbonyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(furan-2-carbonyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide
PubChem CID32621939
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name(3S)-1-(furan-2-carbonyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H28N2O3/c1-16(18-11-10-17-6-2-3-7-19(17)14-18)24-22(26)20-8-4-12-25(15-20)23(27)21-9-5-13-28-21/h5,9-11,13-14,16,20H,2-4,6-8,12,15H2,1H3,(H,24,26)/t16-,20-/m0/s1
InChIKeyQKKPBVZDKATYEW-JXFKEZNVSA-N
XLogP3.89
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-(furan-2-carbonyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-(furan-2-carbonyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide
CID 32621933
(3R)-1-(furan-2-carbonyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide
CID 32614549
(3R)-1-(furan-2-carbonyl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-3-carboxamide
CID 32613901
(3R)-1-(furan-2-carbonyl)-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide
CID 32625420
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclohexanecarboxamide
CID 127109666
N-[1-(4-bromophenyl)propyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 46448493
1-(furan-2-carbonyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]piperidine-3-carboxamide
CID 43043393
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 133185941
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 133185942
(Z)-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 108849078
(3S)-1-(3-phenylpropylsulfonyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide
CID 125077423
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]cyclopropanecarboxamide
CID 94487664

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(furan-2-carbonyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(furan-2-carbonyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide (CID 32621939) is (3S)-1-(furan-2-carbonyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(furan-2-carbonyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(furan-2-carbonyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide is C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1)c1ccc2c(c1)CCCC2.
What is the InChIKey of (3S)-1-(furan-2-carbonyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is QKKPBVZDKATYEW-JXFKEZNVSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-16(18-11-10-17-6-2-3-7-19(17)14-18)24-22(26)20-8-4-12-25(15-20)23(27)21-9-5-13-28-21/h5,9-11,13-14,16,20H,2-4,6-8,12,15H2,1H3,(H,24,26)/t16-,20-/m0/s1.
What are the key properties of (3S)-1-(furan-2-carbonyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide?
(3S)-1-(furan-2-carbonyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(furan-2-carbonyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 32621939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).