N-cyclopentyl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide

C21H31N3O3 — CID 110813016

IUPACN-cyclopentyl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide
SMILESCC(C)Oc1ccc(CC(=O)N2CCN(C(=O)NC3CCCC3)CC2)cc1
InChIInChI=1S/C21H31N3O3/c1-16(2)27-19-9-7-17(8-10-19)15-20(25)23-11-13-24(14-12-23)21(26)22-18-5-3-4-6-18/h7-10,16,18H,3-6,11-15H2,1-2H3,(H,22,26)
InChIKeyGDRZUIZJKVKELQ-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.81
Rot. Bonds5

About N-cyclopentyl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide

N-cyclopentyl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide (PubChem CID 110813016) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-cyclopentyl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide
PubChem CID110813016
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-cyclopentyl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide
SMILESCC(C)Oc1ccc(CC(=O)N2CCN(C(=O)NC3CCCC3)CC2)cc1
InChIInChI=1S/C21H31N3O3/c1-16(2)27-19-9-7-17(8-10-19)15-20(25)23-11-13-24(14-12-23)21(26)22-18-5-3-4-6-18/h7-10,16,18H,3-6,11-15H2,1-2H3,(H,22,26)
InChIKeyGDRZUIZJKVKELQ-UHFFFAOYSA-N
XLogP2.81
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide
CID 110813014
N-cycloheptyl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113110605
N-cyclopentyl-4-[2-(4-methylsulfanylphenyl)acetyl]piperazine-1-carboxamide
CID 110813116
4-[2-(4-chlorophenyl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide
CID 110811575
N-cyclopentyl-4-[2-(4-fluorophenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110811571
N-cyclopentyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110811015
1-[2-(4-propan-2-yloxyphenyl)acetyl]piperidin-4-one
CID 98019320
3,3-dimethyl-1-[4-[2-(4-propan-2-yloxyphenyl)acetyl]-1,4-diazepan-1-yl]butan-1-one
CID 110809560
N-cyclopentyl-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813829
1-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-(4-propan-2-yloxyphenyl)ethanone
CID 110809986
N'-cyclopentyl-N-[(4-propan-2-yloxyphenyl)methyl]oxamide
CID 125144930
2-(4-fluorophenyl)-1-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]ethanone
CID 113077726

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide (CID 110813016) is N-cyclopentyl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide is CC(C)Oc1ccc(CC(=O)N2CCN(C(=O)NC3CCCC3)CC2)cc1.
What is the InChIKey of N-cyclopentyl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide?
The InChIKey is GDRZUIZJKVKELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-16(2)27-19-9-7-17(8-10-19)15-20(25)23-11-13-24(14-12-23)21(26)22-18-5-3-4-6-18/h7-10,16,18H,3-6,11-15H2,1-2H3,(H,22,26).
What are the key properties of N-cyclopentyl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide?
N-cyclopentyl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide is sourced from PubChem (CID 110813016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).