N-cyclopropyl-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidine-4-carboxamide

C18H24N2O2S — CID 95282747

IUPACN-cyclopropyl-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidine-4-carboxamide
SMILESCc1ccc([C@H]2C[C@H]2C(=O)N2CCC(C(=O)NC3CC3)CC2)s1
InChIInChI=1S/C18H24N2O2S/c1-11-2-5-16(23-11)14-10-15(14)18(22)20-8-6-12(7-9-20)17(21)19-13-3-4-13/h2,5,12-15H,3-4,6-10H2,1H3,(H,19,21)/t14-,15+/m0/s1
InChIKeyQYXQUCYTMFLHCM-LSDHHAIUSA-N
MW332.47 g/mol
LogP2.68
Rot. Bonds4

About N-cyclopropyl-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidine-4-carboxamide

N-cyclopropyl-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidine-4-carboxamide (PubChem CID 95282747) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-cyclopropyl-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidine-4-carboxamide
PubChem CID95282747
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-cyclopropyl-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidine-4-carboxamide
SMILESCc1ccc([C@H]2C[C@H]2C(=O)N2CCC(C(=O)NC3CC3)CC2)s1
InChIInChI=1S/C18H24N2O2S/c1-11-2-5-16(23-11)14-10-15(14)18(22)20-8-6-12(7-9-20)17(21)19-13-3-4-13/h2,5,12-15H,3-4,6-10H2,1H3,(H,19,21)/t14-,15+/m0/s1
InChIKeyQYXQUCYTMFLHCM-LSDHHAIUSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidine-4-carboxamide (CID 95282747) is N-cyclopropyl-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidine-4-carboxamide is Cc1ccc([C@H]2C[C@H]2C(=O)N2CCC(C(=O)NC3CC3)CC2)s1.
What is the InChIKey of N-cyclopropyl-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidine-4-carboxamide?
The InChIKey is QYXQUCYTMFLHCM-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-11-2-5-16(23-11)14-10-15(14)18(22)20-8-6-12(7-9-20)17(21)19-13-3-4-13/h2,5,12-15H,3-4,6-10H2,1H3,(H,19,21)/t14-,15+/m0/s1.
What are the key properties of N-cyclopropyl-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidine-4-carboxamide?
N-cyclopropyl-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidine-4-carboxamide has a molecular weight of 332.47 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 95282747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).