1-acetyl-N-(2-oxopiperidin-3-yl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-2-carboxamide

C16H25N5O4S — CID 73148897

IUPAC1-acetyl-N-(2-oxopiperidin-3-yl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)C2CSCN2)CC1C(=O)NC1CCCNC1=O
InChIInChI=1S/C16H25N5O4S/c1-10(22)21-6-5-20(16(25)12-8-26-9-18-12)7-13(21)15(24)19-11-3-2-4-17-14(11)23/h11-13,18H,2-9H2,1H3,(H,17,23)(H,19,24)
InChIKeyHGBAZFVNSWOZHS-UHFFFAOYSA-N
MW383.47 g/mol
LogP-1.90
Rot. Bonds3

About 1-acetyl-N-(2-oxopiperidin-3-yl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-2-carboxamide

1-acetyl-N-(2-oxopiperidin-3-yl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-2-carboxamide (PubChem CID 73148897) has the molecular formula C16H25N5O4S and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-acetyl-N-(2-oxopiperidin-3-yl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(2-oxopiperidin-3-yl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-2-carboxamide
PubChem CID73148897
Molecular FormulaC16H25N5O4S
Molecular Weight383.47 g/mol
Exact Mass383.16
IUPAC Name1-acetyl-N-(2-oxopiperidin-3-yl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)C2CSCN2)CC1C(=O)NC1CCCNC1=O
InChIInChI=1S/C16H25N5O4S/c1-10(22)21-6-5-20(16(25)12-8-26-9-18-12)7-13(21)15(24)19-11-3-2-4-17-14(11)23/h11-13,18H,2-9H2,1H3,(H,17,23)(H,19,24)
InChIKeyHGBAZFVNSWOZHS-UHFFFAOYSA-N
XLogP-1.90
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 5-1.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-4-[4-(dimethylamino)benzoyl]-N-[(3R)-2-oxopiperidin-3-yl]-1-[(4S)-1,3-thiazolidine-4-carbonyl]piperazine-2-carboxamide
CID 163136257
(2S)-1-acetyl-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyrimidine-5-carbonyl)piperazine-2-carboxamide
CID 11912338
(2S)-1,4-bis(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 9419644
4-acetyl-1-(2-methoxyacetyl)-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide
CID 78524418
4-(cyclohexanecarbonyl)-1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)piperazine-1,3-dicarboxamide
CID 73139978
(3S)-4-benzoyl-3-N-[(3S)-2-oxopiperidin-3-yl]-1-N-propan-2-ylpiperazine-1,3-dicarboxamide
CID 7682191
(2S)-4-(cyclohexanecarbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
CID 162809347
1-(4-methoxybenzoyl)-N-(2-oxopiperidin-3-yl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide
CID 73139083
(2S)-1-benzoyl-N-[(3S)-2-oxopiperidin-3-yl]-4-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide
CID 11912588
4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(piperidine-4-carbonyl)piperazine-2-carboxamide
CID 78524288
(2R)-4-(2-methoxyacetyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrimidine-5-carbonyl)piperazine-2-carboxamide
CID 163158475
1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide
CID 162990141

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2-oxopiperidin-3-yl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-2-carboxamide?
The IUPAC name of 1-acetyl-N-(2-oxopiperidin-3-yl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-2-carboxamide (CID 73148897) is 1-acetyl-N-(2-oxopiperidin-3-yl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-(2-oxopiperidin-3-yl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-(2-oxopiperidin-3-yl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-2-carboxamide is CC(=O)N1CCN(C(=O)C2CSCN2)CC1C(=O)NC1CCCNC1=O.
What is the InChIKey of 1-acetyl-N-(2-oxopiperidin-3-yl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-2-carboxamide?
The InChIKey is HGBAZFVNSWOZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O4S/c1-10(22)21-6-5-20(16(25)12-8-26-9-18-12)7-13(21)15(24)19-11-3-2-4-17-14(11)23/h11-13,18H,2-9H2,1H3,(H,17,23)(H,19,24).
What are the key properties of 1-acetyl-N-(2-oxopiperidin-3-yl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-2-carboxamide?
1-acetyl-N-(2-oxopiperidin-3-yl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-2-carboxamide has a molecular weight of 383.47 g/mol, XLogP of -1.90, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2-oxopiperidin-3-yl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 73148897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).