cyclopropyl-[4-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]methanone

C21H26N4O2S — CID 154852614

IUPACcyclopropyl-[4-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1sccc1-n1cccc1)N1CCC(N2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C21H26N4O2S/c26-20(16-3-4-16)24-12-10-22(11-13-24)17-5-9-25(15-17)21(27)19-18(6-14-28-19)23-7-1-2-8-23/h1-2,6-8,14,16-17H,3-5,9-13,15H2
InChIKeyMKSHERJHEWOEMB-UHFFFAOYSA-N
MW398.53 g/mol
LogP2.31
Rot. Bonds4

About cyclopropyl-[4-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]methanone

cyclopropyl-[4-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]methanone (PubChem CID 154852614) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is cyclopropyl-[4-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]methanone
PubChem CID154852614
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC Namecyclopropyl-[4-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1sccc1-n1cccc1)N1CCC(N2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C21H26N4O2S/c26-20(16-3-4-16)24-12-10-22(11-13-24)17-5-9-25(15-17)21(27)19-18(6-14-28-19)23-7-1-2-8-23/h1-2,6-8,14,16-17H,3-5,9-13,15H2
InChIKeyMKSHERJHEWOEMB-UHFFFAOYSA-N
XLogP2.31
TPSA48.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclopropyl-[4-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[(3S)-3-hydroxypiperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone
CID 107224289
(3,4-dihydroxypyrrolidin-1-yl)-(3-pyrrol-1-ylthiophen-2-yl)methanone
CID 106671096
N-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 6620143
N-phenyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-3-carboxamide
CID 24624840
2-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid
CID 116681471
(3-pyrrolidin-1-ylpyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 110441029
[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone
CID 154773758
(3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 62947421
1-(3-pyrrol-1-ylthiophene-2-carbonyl)-1,4-diazepan-5-one
CID 62045906
[3-(methoxymethyl)thiophen-2-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120994475
cis-(1R,3S)-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320257
(2S,4S)-4-hydroxy-1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 64713875

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]methanone (CID 154852614) is cyclopropyl-[4-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]methanone is O=C(c1sccc1-n1cccc1)N1CCC(N2CCN(C(=O)C3CC3)CC2)C1.
What is the InChIKey of cyclopropyl-[4-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]methanone?
The InChIKey is MKSHERJHEWOEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c26-20(16-3-4-16)24-12-10-22(11-13-24)17-5-9-25(15-17)21(27)19-18(6-14-28-19)23-7-1-2-8-23/h1-2,6-8,14,16-17H,3-5,9-13,15H2.
What are the key properties of cyclopropyl-[4-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]methanone?
cyclopropyl-[4-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]methanone has a molecular weight of 398.53 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 154852614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).