N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclohexyl]-2-(4-methylpyrazol-1-yl)acetamide

C16H25N5O3 — CID 110128137

IUPACN-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclohexyl]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1cnn(CC(=O)NC2CCC[C@@H](N3CCNC(=O)C3)[C@@H]2O)c1
InChIInChI=1S/C16H25N5O3/c1-11-7-18-21(8-11)10-15(23)19-12-3-2-4-13(16(12)24)20-6-5-17-14(22)9-20/h7-8,12-13,16,24H,2-6,9-10H2,1H3,(H,17,22)(H,19,23)/t12?,13-,16-/m1/s1
InChIKeyHIQHICBECOTIAM-LLQOJDTPSA-N
MW335.41 g/mol
LogP-0.98
Rot. Bonds4

About N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclohexyl]-2-(4-methylpyrazol-1-yl)acetamide

N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclohexyl]-2-(4-methylpyrazol-1-yl)acetamide (PubChem CID 110128137) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclohexyl]-2-(4-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclohexyl]-2-(4-methylpyrazol-1-yl)acetamide
PubChem CID110128137
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclohexyl]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1cnn(CC(=O)NC2CCC[C@@H](N3CCNC(=O)C3)[C@@H]2O)c1
InChIInChI=1S/C16H25N5O3/c1-11-7-18-21(8-11)10-15(23)19-12-3-2-4-13(16(12)24)20-6-5-17-14(22)9-20/h7-8,12-13,16,24H,2-6,9-10H2,1H3,(H,17,22)(H,19,23)/t12?,13-,16-/m1/s1
InChIKeyHIQHICBECOTIAM-LLQOJDTPSA-N
XLogP-0.98
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclohexyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 110128134
N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclohexyl]-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 110163798
N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110127670
2-(2,3-dihydro-1H-inden-5-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]acetamide
CID 110127676
2-(4-methylpyrazol-1-yl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133264711
(6R,11S)-11-hydroxy-8-[2-(4-methylpyrazol-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 164694482
cis-(1R,2S)-2-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 136583479
2-(3,5-dimethylpyrazol-1-yl)-N-[(1R,2S,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]-N-methylacetamide
CID 110127700
N-[(1R,2S,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclohexyl]-N-methyl-3-phenylpropanamide
CID 110143784
N-cyclopropyl-3-(4-methylpyrazol-1-yl)propanamide
CID 19559575
N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 95626542
2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 95292844

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclohexyl]-2-(4-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclohexyl]-2-(4-methylpyrazol-1-yl)acetamide (CID 110128137) is N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclohexyl]-2-(4-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclohexyl]-2-(4-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclohexyl]-2-(4-methylpyrazol-1-yl)acetamide is Cc1cnn(CC(=O)NC2CCC[C@@H](N3CCNC(=O)C3)[C@@H]2O)c1.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclohexyl]-2-(4-methylpyrazol-1-yl)acetamide?
The InChIKey is HIQHICBECOTIAM-LLQOJDTPSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-11-7-18-21(8-11)10-15(23)19-12-3-2-4-13(16(12)24)20-6-5-17-14(22)9-20/h7-8,12-13,16,24H,2-6,9-10H2,1H3,(H,17,22)(H,19,23)/t12?,13-,16-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclohexyl]-2-(4-methylpyrazol-1-yl)acetamide?
N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclohexyl]-2-(4-methylpyrazol-1-yl)acetamide has a molecular weight of 335.41 g/mol, XLogP of -0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclohexyl]-2-(4-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 110128137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).