N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-methyl-3-oxopiperazin-1-yl)acetamide

C16H25N5O3 — CID 167800069

IUPACN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-methyl-3-oxopiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)N[C@@H]2CC(Cn3ccnc3)C[C@H]2O)CC1=O
InChIInChI=1S/C16H25N5O3/c1-19-4-5-20(10-16(19)24)9-15(23)18-13-6-12(7-14(13)22)8-21-3-2-17-11-21/h2-3,11-14,22H,4-10H2,1H3,(H,18,23)/t12?,13-,14-/m1/s1
InChIKeyAAQYULCVJPKKOR-ILMHWDKJSA-N
MW335.41 g/mol
LogP-1.09
Rot. Bonds5

About N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-methyl-3-oxopiperazin-1-yl)acetamide

N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-methyl-3-oxopiperazin-1-yl)acetamide (PubChem CID 167800069) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-methyl-3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-methyl-3-oxopiperazin-1-yl)acetamide
PubChem CID167800069
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC NameN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-methyl-3-oxopiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)N[C@@H]2CC(Cn3ccnc3)C[C@H]2O)CC1=O
InChIInChI=1S/C16H25N5O3/c1-19-4-5-20(10-16(19)24)9-15(23)18-13-6-12(7-14(13)22)8-21-3-2-17-11-21/h2-3,11-14,22H,4-10H2,1H3,(H,18,23)/t12?,13-,14-/m1/s1
InChIKeyAAQYULCVJPKKOR-ILMHWDKJSA-N
XLogP-1.09
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-methyl-3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-methyl-3-oxopiperazin-1-yl)acetamide (CID 167800069) is N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-methyl-3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-methyl-3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-methyl-3-oxopiperazin-1-yl)acetamide is CN1CCN(CC(=O)N[C@@H]2CC(Cn3ccnc3)C[C@H]2O)CC1=O.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-methyl-3-oxopiperazin-1-yl)acetamide?
The InChIKey is AAQYULCVJPKKOR-ILMHWDKJSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-19-4-5-20(10-16(19)24)9-15(23)18-13-6-12(7-14(13)22)8-21-3-2-17-11-21/h2-3,11-14,22H,4-10H2,1H3,(H,18,23)/t12?,13-,14-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-methyl-3-oxopiperazin-1-yl)acetamide?
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-methyl-3-oxopiperazin-1-yl)acetamide has a molecular weight of 335.41 g/mol, XLogP of -1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-methyl-3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 167800069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).