(3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C20H23N5O3S — CID 34597005

IUPAC(3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESO=C1CN(c2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4cccs4)C3)cn2)CCN1
InChIInChI=1S/C20H23N5O3S/c26-18-13-24(9-7-21-18)17-6-5-15(11-22-17)23-19(27)14-3-1-8-25(12-14)20(28)16-4-2-10-29-16/h2,4-6,10-11,14H,1,3,7-9,12-13H2,(H,21,26)(H,23,27)/t14-/m1/s1
InChIKeyZQQXDCSFJXFCQL-CQSZACIVSA-N
MW413.50 g/mol
LogP1.57
Rot. Bonds4

About (3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

(3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 34597005) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is (3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID34597005
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Name(3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESO=C1CN(c2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4cccs4)C3)cn2)CCN1
InChIInChI=1S/C20H23N5O3S/c26-18-13-24(9-7-21-18)17-6-5-15(11-22-17)23-19(27)14-3-1-8-25(12-14)20(28)16-4-2-10-29-16/h2,4-6,10-11,14H,1,3,7-9,12-13H2,(H,21,26)(H,23,27)/t14-/m1/s1
InChIKeyZQQXDCSFJXFCQL-CQSZACIVSA-N
XLogP1.57
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide with MolForge

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Related Compounds

N-(4-bromophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946615
N-(3,4-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946658
N-pyridin-2-yl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053443
(3R)-N-pyridin-2-yl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 30784713
(3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 51953423
N-(4-propan-2-ylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946825
(3R)-1-(thiophene-2-carbonyl)-N-(1H-1,2,4-triazol-5-yl)piperidine-3-carboxamide
CID 30864097
N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42955485
N-[4-(dimethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55560044
1-benzyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 60579425
N-[4-(cyanomethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558619
N-[4-(diethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946763

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 34597005) is (3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is O=C1CN(c2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4cccs4)C3)cn2)CCN1.
What is the InChIKey of (3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is ZQQXDCSFJXFCQL-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23N5O3S/c26-18-13-24(9-7-21-18)17-6-5-15(11-22-17)23-19(27)14-3-1-8-25(12-14)20(28)16-4-2-10-29-16/h2,4-6,10-11,14H,1,3,7-9,12-13H2,(H,21,26)(H,23,27)/t14-/m1/s1.
What are the key properties of (3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
(3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 34597005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).