1-(2-methylpropanoyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide

C20H31N3O2S — CID 128925831

IUPAC1-(2-methylpropanoyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)NCC(c2cccs2)N2CCCC2)CC1
InChIInChI=1S/C20H31N3O2S/c1-15(2)20(25)23-11-7-16(8-12-23)19(24)21-14-17(18-6-5-13-26-18)22-9-3-4-10-22/h5-6,13,15-17H,3-4,7-12,14H2,1-2H3,(H,21,24)
InChIKeyJJBSWTCRDQVNEP-UHFFFAOYSA-N
MW377.55 g/mol
LogP2.90
Rot. Bonds6

About 1-(2-methylpropanoyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide

1-(2-methylpropanoyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide (PubChem CID 128925831) has the molecular formula C20H31N3O2S and a molecular weight of 377.55 g/mol. Its IUPAC name is 1-(2-methylpropanoyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropanoyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide
PubChem CID128925831
Molecular FormulaC20H31N3O2S
Molecular Weight377.55 g/mol
Exact Mass377.21
IUPAC Name1-(2-methylpropanoyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)NCC(c2cccs2)N2CCCC2)CC1
InChIInChI=1S/C20H31N3O2S/c1-15(2)20(25)23-11-7-16(8-12-23)19(24)21-14-17(18-6-5-13-26-18)22-9-3-4-10-22/h5-6,13,15-17H,3-4,7-12,14H2,1-2H3,(H,21,24)
InChIKeyJJBSWTCRDQVNEP-UHFFFAOYSA-N
XLogP2.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.55
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]oxolane-2-carboxamide
CID 112504779
N-(2-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 43418235
(4R)-2-oxo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]imidazolidine-4-carboxamide
CID 97078923
(4S)-2-oxo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]imidazolidine-4-carboxamide
CID 97078921
N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040
2-methylsulfanyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 134057480
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]propanamide;hydrochloride
CID 52984652
3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 46522611
3-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119831481
3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)but-2-enamide
CID 134057487
2-phenyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 15145540

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropanoyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-methylpropanoyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide (CID 128925831) is 1-(2-methylpropanoyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylpropanoyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylpropanoyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide is CC(C)C(=O)N1CCC(C(=O)NCC(c2cccs2)N2CCCC2)CC1.
What is the InChIKey of 1-(2-methylpropanoyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The InChIKey is JJBSWTCRDQVNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2S/c1-15(2)20(25)23-11-7-16(8-12-23)19(24)21-14-17(18-6-5-13-26-18)22-9-3-4-10-22/h5-6,13,15-17H,3-4,7-12,14H2,1-2H3,(H,21,24).
What are the key properties of 1-(2-methylpropanoyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide?
1-(2-methylpropanoyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide has a molecular weight of 377.55 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropanoyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 128925831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).