N-[(1R)-3-amino-2-oxo-1-phenylpropyl]-4-methylpiperazine-1-carboxamide

C15H22N4O2 — CID 134270706

IUPACN-[(1R)-3-amino-2-oxo-1-phenylpropyl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)N[C@@H](C(=O)CN)c2ccccc2)CC1
InChIInChI=1S/C15H22N4O2/c1-18-7-9-19(10-8-18)15(21)17-14(13(20)11-16)12-5-3-2-4-6-12/h2-6,14H,7-11,16H2,1H3,(H,17,21)/t14-/m1/s1
InChIKeyUSJKTLUBHYAXRV-CQSZACIVSA-N
MW290.37 g/mol
LogP0.21
Rot. Bonds4

About N-[(1R)-3-amino-2-oxo-1-phenylpropyl]-4-methylpiperazine-1-carboxamide

N-[(1R)-3-amino-2-oxo-1-phenylpropyl]-4-methylpiperazine-1-carboxamide (PubChem CID 134270706) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[(1R)-3-amino-2-oxo-1-phenylpropyl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-3-amino-2-oxo-1-phenylpropyl]-4-methylpiperazine-1-carboxamide
PubChem CID134270706
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-[(1R)-3-amino-2-oxo-1-phenylpropyl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)N[C@@H](C(=O)CN)c2ccccc2)CC1
InChIInChI=1S/C15H22N4O2/c1-18-7-9-19(10-8-18)15(21)17-14(13(20)11-16)12-5-3-2-4-6-12/h2-6,14H,7-11,16H2,1H3,(H,17,21)/t14-/m1/s1
InChIKeyUSJKTLUBHYAXRV-CQSZACIVSA-N
XLogP0.21
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4-methyl-1,4-diazepane-1-carbonyl)amino]-2-phenylacetic acid
CID 61193066
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
CID 110286989
methyl 2-phenyl-2-(pyrrolidine-1-carbonylamino)acetate
CID 79161746
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]butanamide
CID 110286990
N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]pyrrolidine-1-carboxamide
CID 95267786
2,2-dimethyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
CID 110286997
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]cyclopropanecarboxamide
CID 110286992
1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one
CID 71449759
3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 24701184
ethyl 4-(benzhydrylcarbamoyl)piperazine-1-carboxylate
CID 108867581
N-benzhydryl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
CID 24794972
(2S)-2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]-2-phenylacetic acid
CID 104899026

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-amino-2-oxo-1-phenylpropyl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[(1R)-3-amino-2-oxo-1-phenylpropyl]-4-methylpiperazine-1-carboxamide (CID 134270706) is N-[(1R)-3-amino-2-oxo-1-phenylpropyl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(1R)-3-amino-2-oxo-1-phenylpropyl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[(1R)-3-amino-2-oxo-1-phenylpropyl]-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)N[C@@H](C(=O)CN)c2ccccc2)CC1.
What is the InChIKey of N-[(1R)-3-amino-2-oxo-1-phenylpropyl]-4-methylpiperazine-1-carboxamide?
The InChIKey is USJKTLUBHYAXRV-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-18-7-9-19(10-8-18)15(21)17-14(13(20)11-16)12-5-3-2-4-6-12/h2-6,14H,7-11,16H2,1H3,(H,17,21)/t14-/m1/s1.
What are the key properties of N-[(1R)-3-amino-2-oxo-1-phenylpropyl]-4-methylpiperazine-1-carboxamide?
N-[(1R)-3-amino-2-oxo-1-phenylpropyl]-4-methylpiperazine-1-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-amino-2-oxo-1-phenylpropyl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 134270706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).