N-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide

C18H21N3O2S — CID 6620143

IUPACN-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C(=O)c2sccc2-n2cccc2)CC1
InChIInChI=1S/C18H21N3O2S/c22-17(19-14-3-4-14)13-5-10-21(11-6-13)18(23)16-15(7-12-24-16)20-8-1-2-9-20/h1-2,7-9,12-14H,3-6,10-11H2,(H,19,22)
InChIKeyPSWZZTOHRSNKMF-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.67
Rot. Bonds4

About N-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide

N-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 6620143) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID6620143
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C(=O)c2sccc2-n2cccc2)CC1
InChIInChI=1S/C18H21N3O2S/c22-17(19-14-3-4-14)13-5-10-21(11-6-13)18(23)16-15(7-12-24-16)20-8-1-2-9-20/h1-2,7-9,12-14H,3-6,10-11H2,(H,19,22)
InChIKeyPSWZZTOHRSNKMF-UHFFFAOYSA-N
XLogP2.67
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dihydroxypyrrolidin-1-yl)-(3-pyrrol-1-ylthiophen-2-yl)methanone
CID 106671096
N-phenyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-3-carboxamide
CID 24624840
cis-(1R,3S)-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320257
cyclopropyl-[4-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]methanone
CID 154852614
N-[1-(thiophene-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46446282
1-(3-pyrrol-1-ylthiophene-2-carbonyl)-1,4-diazepan-5-one
CID 62045906
(3R)-N-cyclopropyl-1-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 42191973
2-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid
CID 116681471
1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789
1-(3-methylthiophene-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 17395338
tert-butyl (3S)-3-[methyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]pyrrolidine-1-carboxylate
CID 99812993
tert-butyl 3-[methyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]pyrrolidine-1-carboxylate
CID 86813227

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide (CID 6620143) is N-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide is O=C(NC1CC1)C1CCN(C(=O)c2sccc2-n2cccc2)CC1.
What is the InChIKey of N-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is PSWZZTOHRSNKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-17(19-14-3-4-14)13-5-10-21(11-6-13)18(23)16-15(7-12-24-16)20-8-1-2-9-20/h1-2,7-9,12-14H,3-6,10-11H2,(H,19,22).
What are the key properties of N-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide?
N-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 6620143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).