(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide

C17H30N4O4 — CID 11887607

IUPAC(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide
SMILESCOCC(=O)N1CCNC[C@@H]1C(=O)N[C@@H](CC1CCCCC1)C(N)=O
InChIInChI=1S/C17H30N4O4/c1-25-11-15(22)21-8-7-19-10-14(21)17(24)20-13(16(18)23)9-12-5-3-2-4-6-12/h12-14,19H,2-11H2,1H3,(H2,18,23)(H,20,24)/t13-,14+/m0/s1
InChIKeyPXIWKWDSJYPRCG-UONOGXRCSA-N
MW354.45 g/mol
LogP-0.63
Rot. Bonds7

About (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide

(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide (PubChem CID 11887607) has the molecular formula C17H30N4O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide
PubChem CID11887607
Molecular FormulaC17H30N4O4
Molecular Weight354.45 g/mol
Exact Mass354.23
IUPAC Name(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide
SMILESCOCC(=O)N1CCNC[C@@H]1C(=O)N[C@@H](CC1CCCCC1)C(N)=O
InChIInChI=1S/C17H30N4O4/c1-25-11-15(22)21-8-7-19-10-14(21)17(24)20-13(16(18)23)9-12-5-3-2-4-6-12/h12-14,19H,2-11H2,1H3,(H2,18,23)(H,20,24)/t13-,14+/m0/s1
InChIKeyPXIWKWDSJYPRCG-UONOGXRCSA-N
XLogP-0.63
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(3-fluorobenzoyl)-1-(2-methoxyacetyl)piperazine-2-carboxamide
CID 163175820
(2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide
CID 25391117
methyl 2-[[1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate
CID 73135225
N-ethyl-1-(2-propan-2-yloxyacetyl)piperazine-2-carboxamide
CID 112603458
ethyl 1-(2-cycloheptylacetyl)piperazine-2-carboxylate
CID 115737538
(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1,4-bis(methylsulfonyl)piperazine-2-carboxamide
CID 7164968
methyl (2S)-2-[[(2R)-1-(cyclohexanecarbonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate
CID 163132661
3-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-1-N-phenyl-4-(piperidine-4-carbonyl)piperazine-1,3-dicarboxamide
CID 78455417
(3S)-4-[[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-(methylamino)-4-oxobutanoic acid
CID 59936843
(2S)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(benzenesulfonyl)-1-(piperidine-4-carbonyl)piperazine-2-carboxamide
CID 7164924
(2S)-1-acetyl-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(benzenesulfonyl)piperazine-2-carboxamide
CID 11887590
methyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate
CID 171080468

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide?
The IUPAC name of (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide (CID 11887607) is (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide?
The canonical SMILES for (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide is COCC(=O)N1CCNC[C@@H]1C(=O)N[C@@H](CC1CCCCC1)C(N)=O.
What is the InChIKey of (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide?
The InChIKey is PXIWKWDSJYPRCG-UONOGXRCSA-N. The full InChI is InChI=1S/C17H30N4O4/c1-25-11-15(22)21-8-7-19-10-14(21)17(24)20-13(16(18)23)9-12-5-3-2-4-6-12/h12-14,19H,2-11H2,1H3,(H2,18,23)(H,20,24)/t13-,14+/m0/s1.
What are the key properties of (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide?
(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide has a molecular weight of 354.45 g/mol, XLogP of -0.63, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide is sourced from PubChem (CID 11887607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).