2-[4-(cyclopropylmethyl)-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid

C21H22N2O4 — CID 110284433

IUPAC2-[4-(cyclopropylmethyl)-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid
SMILESO=C(O)CC1C(=O)N(CC2CC2)CCN1C(=O)c1cccc2ccccc12
InChIInChI=1S/C21H22N2O4/c24-19(25)12-18-21(27)22(13-14-8-9-14)10-11-23(18)20(26)17-7-3-5-15-4-1-2-6-16(15)17/h1-7,14,18H,8-13H2,(H,24,25)
InChIKeyQIGQCMPYEWKNPR-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.38
Rot. Bonds5

About 2-[4-(cyclopropylmethyl)-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid

2-[4-(cyclopropylmethyl)-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid (PubChem CID 110284433) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid
PubChem CID110284433
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name2-[4-(cyclopropylmethyl)-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid
SMILESO=C(O)CC1C(=O)N(CC2CC2)CCN1C(=O)c1cccc2ccccc12
InChIInChI=1S/C21H22N2O4/c24-19(25)12-18-21(27)22(13-14-8-9-14)10-11-23(18)20(26)17-7-3-5-15-4-1-2-6-16(15)17/h1-7,14,18H,8-13H2,(H,24,25)
InChIKeyQIGQCMPYEWKNPR-UHFFFAOYSA-N
XLogP2.38
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-methyl-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 110284430
2-[4-[(3,5-difluorophenyl)methyl]-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 110284445
2-[1-benzoyl-4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]acetic acid
CID 110284320
2-[1-(cyclobutanecarbonyl)-4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]acetic acid
CID 110284364
(4-cyclopropyl-2-phenylpiperazin-1-yl)-naphthalen-1-ylmethanone
CID 90566745
2-(1-benzoyl-4-methyl-3-oxopiperazin-2-yl)acetic acid
CID 110284310
[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone
CID 13185578
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 14622137
2-[4-(cyclobutylmethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid
CID 110284122
2-[1-(4-fluorobenzoyl)-4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 110284411
2-[4-(cyclobutylmethyl)-1-(furan-2-ylmethyl)-3-oxopiperazin-2-yl]acetic acid
CID 110284219
(3S)-1-benzyl-3-(2-methylsulfanylethyl)-4-(6-nitronaphthalene-1-carbonyl)piperazin-2-one
CID 67601132

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethyl)-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[4-(cyclopropylmethyl)-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid (CID 110284433) is 2-[4-(cyclopropylmethyl)-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(cyclopropylmethyl)-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid is O=C(O)CC1C(=O)N(CC2CC2)CCN1C(=O)c1cccc2ccccc12.
What is the InChIKey of 2-[4-(cyclopropylmethyl)-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is QIGQCMPYEWKNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c24-19(25)12-18-21(27)22(13-14-8-9-14)10-11-23(18)20(26)17-7-3-5-15-4-1-2-6-16(15)17/h1-7,14,18H,8-13H2,(H,24,25).
What are the key properties of 2-[4-(cyclopropylmethyl)-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid?
2-[4-(cyclopropylmethyl)-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 366.42 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethyl)-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 110284433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).