N-[4-methyl-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide

C20H27N3O3S — CID 166230941

IUPACN-[4-methyl-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
SMILESCc1cc(NC(=O)C2CC2)sc1C(=O)N1CCC(CN2CCCC2=O)CC1
InChIInChI=1S/C20H27N3O3S/c1-13-11-16(21-19(25)15-4-5-15)27-18(13)20(26)22-9-6-14(7-10-22)12-23-8-2-3-17(23)24/h11,14-15H,2-10,12H2,1H3,(H,21,25)
InChIKeyHBJVPRNZVDFXGT-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.88
Rot. Bonds5

About N-[4-methyl-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide

N-[4-methyl-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide (PubChem CID 166230941) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[4-methyl-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-methyl-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
PubChem CID166230941
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-[4-methyl-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
SMILESCc1cc(NC(=O)C2CC2)sc1C(=O)N1CCC(CN2CCCC2=O)CC1
InChIInChI=1S/C20H27N3O3S/c1-13-11-16(21-19(25)15-4-5-15)27-18(13)20(26)22-9-6-14(7-10-22)12-23-8-2-3-17(23)24/h11,14-15H,2-10,12H2,1H3,(H,21,25)
InChIKeyHBJVPRNZVDFXGT-UHFFFAOYSA-N
XLogP2.88
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-methyl-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide (CID 166230941) is N-[4-methyl-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-methyl-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-methyl-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide is Cc1cc(NC(=O)C2CC2)sc1C(=O)N1CCC(CN2CCCC2=O)CC1.
What is the InChIKey of N-[4-methyl-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide?
The InChIKey is HBJVPRNZVDFXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-13-11-16(21-19(25)15-4-5-15)27-18(13)20(26)22-9-6-14(7-10-22)12-23-8-2-3-17(23)24/h11,14-15H,2-10,12H2,1H3,(H,21,25).
What are the key properties of N-[4-methyl-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide?
N-[4-methyl-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide has a molecular weight of 389.52 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 166230941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).