2-[4-[cyclopentylmethyl(methyl)carbamoyl]piperazin-1-yl]acetic acid

C14H25N3O3 — CID 63657971

IUPAC2-[4-[cyclopentylmethyl(methyl)carbamoyl]piperazin-1-yl]acetic acid
SMILESCN(CC1CCCC1)C(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C14H25N3O3/c1-15(10-12-4-2-3-5-12)14(20)17-8-6-16(7-9-17)11-13(18)19/h12H,2-11H2,1H3,(H,18,19)
InChIKeyHANSZAVAUHACOO-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.93
Rot. Bonds4

About 2-[4-[cyclopentylmethyl(methyl)carbamoyl]piperazin-1-yl]acetic acid

2-[4-[cyclopentylmethyl(methyl)carbamoyl]piperazin-1-yl]acetic acid (PubChem CID 63657971) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[4-[cyclopentylmethyl(methyl)carbamoyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[cyclopentylmethyl(methyl)carbamoyl]piperazin-1-yl]acetic acid
PubChem CID63657971
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-[4-[cyclopentylmethyl(methyl)carbamoyl]piperazin-1-yl]acetic acid
SMILESCN(CC1CCCC1)C(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C14H25N3O3/c1-15(10-12-4-2-3-5-12)14(20)17-8-6-16(7-9-17)11-13(18)19/h12H,2-11H2,1H3,(H,18,19)
InChIKeyHANSZAVAUHACOO-UHFFFAOYSA-N
XLogP0.93
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclobutylmethyl)-N-methylpyrrolidine-1-carboxamide
CID 115621970
2-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 63699766
2-[4-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 64520803
2-[4-(dimethylcarbamoyl)-1,4-diazepan-1-yl]acetic acid
CID 62825178
3-[1-[cyclobutylmethyl(methyl)carbamoyl]piperidin-4-yl]oxypropanoic acid
CID 63876978
(3S,4S)-1-[cyclopentylmethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114085926
2-[4-[methyl(3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 61200830
1-[cyclohexylmethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721123
(3S)-1-[cyclobutylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126254
2-[4-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 106917007
2-[1-[cyclohexylmethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61444100
1-[cyclobutylmethyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid
CID 114278576

Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyclopentylmethyl(methyl)carbamoyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[cyclopentylmethyl(methyl)carbamoyl]piperazin-1-yl]acetic acid (CID 63657971) is 2-[4-[cyclopentylmethyl(methyl)carbamoyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[cyclopentylmethyl(methyl)carbamoyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[cyclopentylmethyl(methyl)carbamoyl]piperazin-1-yl]acetic acid is CN(CC1CCCC1)C(=O)N1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-[cyclopentylmethyl(methyl)carbamoyl]piperazin-1-yl]acetic acid?
The InChIKey is HANSZAVAUHACOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-15(10-12-4-2-3-5-12)14(20)17-8-6-16(7-9-17)11-13(18)19/h12H,2-11H2,1H3,(H,18,19).
What are the key properties of 2-[4-[cyclopentylmethyl(methyl)carbamoyl]piperazin-1-yl]acetic acid?
2-[4-[cyclopentylmethyl(methyl)carbamoyl]piperazin-1-yl]acetic acid has a molecular weight of 283.37 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[cyclopentylmethyl(methyl)carbamoyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 63657971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).