1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide

C21H31N3O2S — CID 56871977

IUPAC1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide
SMILESCN(Cc1ccsc1)C(=O)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C21H31N3O2S/c1-22(13-16-8-12-27-15-16)20(25)18-3-2-9-24(14-18)19-6-10-23(11-7-19)21(26)17-4-5-17/h8,12,15,17-19H,2-7,9-11,13-14H2,1H3
InChIKeyFGBOLBIWSQMIQV-UHFFFAOYSA-N
MW389.57 g/mol
LogP2.82
Rot. Bonds5

About 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide

1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 56871977) has the molecular formula C21H31N3O2S and a molecular weight of 389.57 g/mol. Its IUPAC name is 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide
PubChem CID56871977
Molecular FormulaC21H31N3O2S
Molecular Weight389.57 g/mol
Exact Mass389.21
IUPAC Name1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide
SMILESCN(Cc1ccsc1)C(=O)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C21H31N3O2S/c1-22(13-16-8-12-27-15-16)20(25)18-3-2-9-24(14-18)19-6-10-23(11-7-19)21(26)17-4-5-17/h8,12,15,17-19H,2-7,9-11,13-14H2,1H3
InChIKeyFGBOLBIWSQMIQV-UHFFFAOYSA-N
XLogP2.82
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.57
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide (CID 56871977) is 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide is CN(Cc1ccsc1)C(=O)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1.
What is the InChIKey of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is FGBOLBIWSQMIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2S/c1-22(13-16-8-12-27-15-16)20(25)18-3-2-9-24(14-18)19-6-10-23(11-7-19)21(26)17-4-5-17/h8,12,15,17-19H,2-7,9-11,13-14H2,1H3.
What are the key properties of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide?
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 389.57 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 56871977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).