(3R)-3-acetamido-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]piperidine-1-carboxamide

C18H27N3O2S — CID 97098464

IUPAC(3R)-3-acetamido-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]piperidine-1-carboxamide
SMILESCC(=O)N[C@@H]1CCCN(C(=O)N[C@H](c2cccs2)C2CCCC2)C1
InChIInChI=1S/C18H27N3O2S/c1-13(22)19-15-8-4-10-21(12-15)18(23)20-17(14-6-2-3-7-14)16-9-5-11-24-16/h5,9,11,14-15,17H,2-4,6-8,10,12H2,1H3,(H,19,22)(H,20,23)/t15-,17+/m1/s1
InChIKeySSIQQWHFAJKSFX-WBVHZDCISA-N
MW349.50 g/mol
LogP3.29
Rot. Bonds4

About (3R)-3-acetamido-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]piperidine-1-carboxamide

(3R)-3-acetamido-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]piperidine-1-carboxamide (PubChem CID 97098464) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is (3R)-3-acetamido-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-acetamido-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]piperidine-1-carboxamide
PubChem CID97098464
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name(3R)-3-acetamido-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]piperidine-1-carboxamide
SMILESCC(=O)N[C@@H]1CCCN(C(=O)N[C@H](c2cccs2)C2CCCC2)C1
InChIInChI=1S/C18H27N3O2S/c1-13(22)19-15-8-4-10-21(12-15)18(23)20-17(14-6-2-3-7-14)16-9-5-11-24-16/h5,9,11,14-15,17H,2-4,6-8,10,12H2,1H3,(H,19,22)(H,20,23)/t15-,17+/m1/s1
InChIKeySSIQQWHFAJKSFX-WBVHZDCISA-N
XLogP3.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(R)-cyclopentyl(thiophen-2-yl)methyl]piperidine-1,4-dicarboxamide
CID 94175624
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea
CID 94152755
N-[cyclopentyl(thiophen-2-yl)methyl]-2-methoxypropanamide
CID 47307968
3-acetamido-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]azetidine-1-carboxamide
CID 100666900
N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-methylpyridine-3-carboxamide
CID 39029656
(3R)-3-acetamido-N-[(1R)-1-pyridin-2-ylethyl]piperidine-1-carboxamide
CID 95152686
2-(cyclopentylamino)-N-[cyclopentyl(thiophen-2-yl)methyl]acetamide
CID 60847966
1-N-[cyclopentyl(thiophen-2-yl)methyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 55930277
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
CID 39032304
methyl 3-(1-thiophen-2-ylethylamino)piperidine-1-carboxylate
CID 84588214
3-methyl-N-(1-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 60547129
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 39612382

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-acetamido-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]piperidine-1-carboxamide (CID 97098464) is (3R)-3-acetamido-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-acetamido-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-acetamido-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]piperidine-1-carboxamide is CC(=O)N[C@@H]1CCCN(C(=O)N[C@H](c2cccs2)C2CCCC2)C1.
What is the InChIKey of (3R)-3-acetamido-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]piperidine-1-carboxamide?
The InChIKey is SSIQQWHFAJKSFX-WBVHZDCISA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-13(22)19-15-8-4-10-21(12-15)18(23)20-17(14-6-2-3-7-14)16-9-5-11-24-16/h5,9,11,14-15,17H,2-4,6-8,10,12H2,1H3,(H,19,22)(H,20,23)/t15-,17+/m1/s1.
What are the key properties of (3R)-3-acetamido-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]piperidine-1-carboxamide?
(3R)-3-acetamido-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]piperidine-1-carboxamide has a molecular weight of 349.50 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 97098464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).