2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylacetamide

C20H33N5O2 — CID 95716790

IUPAC2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylacetamide
SMILESCc1n[nH]c(C)c1CCCN(C)C(=O)C[C@@H]1C(=O)NCCN1C1CCCC1
InChIInChI=1S/C20H33N5O2/c1-14-17(15(2)23-22-14)9-6-11-24(3)19(26)13-18-20(27)21-10-12-25(18)16-7-4-5-8-16/h16,18H,4-13H2,1-3H3,(H,21,27)(H,22,23)/t18-/m1/s1
InChIKeyARMXJKVVVOKZHC-GOSISDBHSA-N
MW375.52 g/mol
LogP1.55
Rot. Bonds7

About 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylacetamide

2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylacetamide (PubChem CID 95716790) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylacetamide
PubChem CID95716790
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylacetamide
SMILESCc1n[nH]c(C)c1CCCN(C)C(=O)C[C@@H]1C(=O)NCCN1C1CCCC1
InChIInChI=1S/C20H33N5O2/c1-14-17(15(2)23-22-14)9-6-11-24(3)19(26)13-18-20(27)21-10-12-25(18)16-7-4-5-8-16/h16,18H,4-13H2,1-3H3,(H,21,27)(H,22,23)/t18-/m1/s1
InChIKeyARMXJKVVVOKZHC-GOSISDBHSA-N
XLogP1.55
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylacetamide?
The IUPAC name of 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylacetamide (CID 95716790) is 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylacetamide.
What is the SMILES notation for 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylacetamide?
The canonical SMILES for 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylacetamide is Cc1n[nH]c(C)c1CCCN(C)C(=O)C[C@@H]1C(=O)NCCN1C1CCCC1.
What is the InChIKey of 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylacetamide?
The InChIKey is ARMXJKVVVOKZHC-GOSISDBHSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-14-17(15(2)23-22-14)9-6-11-24(3)19(26)13-18-20(27)21-10-12-25(18)16-7-4-5-8-16/h16,18H,4-13H2,1-3H3,(H,21,27)(H,22,23)/t18-/m1/s1.
What are the key properties of 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylacetamide?
2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylacetamide has a molecular weight of 375.52 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylacetamide is sourced from PubChem (CID 95716790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).