(2R)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyrimidine-5-carbonyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxamide

C20H22N6O4S — CID 11912359

IUPAC(2R)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyrimidine-5-carbonyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxamide
SMILESO=C1NCCC[C@@H]1NC(=O)[C@H]1CN(C(=O)c2cncnc2)CCN1C(=O)c1cccs1
InChIInChI=1S/C20H22N6O4S/c27-17-14(3-1-5-23-17)24-18(28)15-11-25(19(29)13-9-21-12-22-10-13)6-7-26(15)20(30)16-4-2-8-31-16/h2,4,8-10,12,14-15H,1,3,5-7,11H2,(H,23,27)(H,24,28)/t14-,15+/m0/s1
InChIKeyDLXVISVREWYGKI-LSDHHAIUSA-N
MW442.50 g/mol
LogP-0.10
Rot. Bonds4

About (2R)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyrimidine-5-carbonyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxamide

(2R)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyrimidine-5-carbonyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxamide (PubChem CID 11912359) has the molecular formula C20H22N6O4S and a molecular weight of 442.50 g/mol. Its IUPAC name is (2R)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyrimidine-5-carbonyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyrimidine-5-carbonyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxamide
PubChem CID11912359
Molecular FormulaC20H22N6O4S
Molecular Weight442.50 g/mol
Exact Mass442.14
IUPAC Name(2R)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyrimidine-5-carbonyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxamide
SMILESO=C1NCCC[C@@H]1NC(=O)[C@H]1CN(C(=O)c2cncnc2)CCN1C(=O)c1cccs1
InChIInChI=1S/C20H22N6O4S/c27-17-14(3-1-5-23-17)24-18(28)15-11-25(19(29)13-9-21-12-22-10-13)6-7-26(15)20(30)16-4-2-8-31-16/h2,4,8-10,12,14-15H,1,3,5-7,11H2,(H,23,27)(H,24,28)/t14-,15+/m0/s1
InChIKeyDLXVISVREWYGKI-LSDHHAIUSA-N
XLogP-0.10
TPSA124.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyrimidine-5-carbonyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxamide with MolForge

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Related Compounds

(2R)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrimidine-5-carbonyl)-4-(thiophene-2-carbonyl)piperazine-2-carboxamide
CID 162814732
(2S)-1-acetyl-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyrimidine-5-carbonyl)piperazine-2-carboxamide
CID 11912338
(2S)-1-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-4-(thiophene-2-carbonyl)piperazine-2-carboxamide
CID 163171368
1-benzoyl-N-(2-oxopiperidin-3-yl)-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 73139587
(2R)-4-benzoyl-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 162802444
(2R)-4-(2-methoxyacetyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrimidine-5-carbonyl)piperazine-2-carboxamide
CID 163158475
(2R)-1-(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 7674390
4-(1-methylpyrrole-2-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 78524153
(2S)-1-[4-(dimethylamino)benzoyl]-N-[(3R)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 163118923
(2S)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
CID 162885419
4-[4-(dimethylamino)benzoyl]-N-(2-oxopiperidin-3-yl)-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
CID 78520017
(3S)-4-benzoyl-3-N-[(3S)-2-oxopiperidin-3-yl]-1-N-propan-2-ylpiperazine-1,3-dicarboxamide
CID 7682191

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyrimidine-5-carbonyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxamide?
The IUPAC name of (2R)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyrimidine-5-carbonyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxamide (CID 11912359) is (2R)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyrimidine-5-carbonyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyrimidine-5-carbonyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for (2R)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyrimidine-5-carbonyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxamide is O=C1NCCC[C@@H]1NC(=O)[C@H]1CN(C(=O)c2cncnc2)CCN1C(=O)c1cccs1.
What is the InChIKey of (2R)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyrimidine-5-carbonyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxamide?
The InChIKey is DLXVISVREWYGKI-LSDHHAIUSA-N. The full InChI is InChI=1S/C20H22N6O4S/c27-17-14(3-1-5-23-17)24-18(28)15-11-25(19(29)13-9-21-12-22-10-13)6-7-26(15)20(30)16-4-2-8-31-16/h2,4,8-10,12,14-15H,1,3,5-7,11H2,(H,23,27)(H,24,28)/t14-,15+/m0/s1.
What are the key properties of (2R)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyrimidine-5-carbonyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxamide?
(2R)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyrimidine-5-carbonyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxamide has a molecular weight of 442.50 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyrimidine-5-carbonyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 11912359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).