3-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(morpholine-4-carbonyl)-1-N-phenylpiperazine-1,3-dicarboxamide

C26H38N6O5 — CID 78455411

IUPAC3-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(morpholine-4-carbonyl)-1-N-phenylpiperazine-1,3-dicarboxamide
SMILESNC(=O)C(CC1CCCCC1)NC(=O)C1CN(C(=O)Nc2ccccc2)CCN1C(=O)N1CCOCC1
InChIInChI=1S/C26H38N6O5/c27-23(33)21(17-19-7-3-1-4-8-19)29-24(34)22-18-31(25(35)28-20-9-5-2-6-10-20)11-12-32(22)26(36)30-13-15-37-16-14-30/h2,5-6,9-10,19,21-22H,1,3-4,7-8,11-18H2,(H2,27,33)(H,28,35)(H,29,34)
InChIKeyURCNZUPYBOLNCH-UHFFFAOYSA-N
MW514.63 g/mol
LogP1.60
Rot. Bonds6

About 3-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(morpholine-4-carbonyl)-1-N-phenylpiperazine-1,3-dicarboxamide

3-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(morpholine-4-carbonyl)-1-N-phenylpiperazine-1,3-dicarboxamide (PubChem CID 78455411) has the molecular formula C26H38N6O5 and a molecular weight of 514.63 g/mol. Its IUPAC name is 3-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(morpholine-4-carbonyl)-1-N-phenylpiperazine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(morpholine-4-carbonyl)-1-N-phenylpiperazine-1,3-dicarboxamide
PubChem CID78455411
Molecular FormulaC26H38N6O5
Molecular Weight514.63 g/mol
Exact Mass514.29
IUPAC Name3-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(morpholine-4-carbonyl)-1-N-phenylpiperazine-1,3-dicarboxamide
SMILESNC(=O)C(CC1CCCCC1)NC(=O)C1CN(C(=O)Nc2ccccc2)CCN1C(=O)N1CCOCC1
InChIInChI=1S/C26H38N6O5/c27-23(33)21(17-19-7-3-1-4-8-19)29-24(34)22-18-31(25(35)28-20-9-5-2-6-10-20)11-12-32(22)26(36)30-13-15-37-16-14-30/h2,5-6,9-10,19,21-22H,1,3-4,7-8,11-18H2,(H2,27,33)(H,28,35)(H,29,34)
InChIKeyURCNZUPYBOLNCH-UHFFFAOYSA-N
XLogP1.60
TPSA137.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.63
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(morpholine-4-carbonyl)-1-N-phenylpiperazine-1,3-dicarboxamide 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

3-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-1-N-phenyl-4-(piperidine-4-carbonyl)piperazine-1,3-dicarboxamide
CID 78455417
(3S)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-phenyl-4-(thiophene-2-carbonyl)piperazine-1,3-dicarboxamide
CID 7164917
(2S)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(benzenesulfonyl)-1-(piperidine-4-carbonyl)piperazine-2-carboxamide
CID 7164924
N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(3-fluorobenzoyl)-1-(2-methoxyacetyl)piperazine-2-carboxamide
CID 163175820
methyl (2R)-2-[[(2S)-1-acetyl-4-(phenylcarbamoyl)piperazine-2-carbonyl]amino]propanoate
CID 163039377
(2S)-3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoic acid
CID 11781067
2-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119223360
(2S)-N-benzyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxamide
CID 110286160
methyl (2S)-2-[[(2R)-1-(2-methoxyacetyl)-4-(phenylcarbamoyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate
CID 11887584
methyl (2S)-4-methylsulfanyl-2-[[(3S)-1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]butanoate
CID 9089794
2-carbamothioyl-N-phenylmorpholine-4-carboxamide
CID 79675023
(3R)-3-amino-N-phenylpyrrolidine-1-carboxamide
CID 94340040

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(morpholine-4-carbonyl)-1-N-phenylpiperazine-1,3-dicarboxamide?
The IUPAC name of 3-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(morpholine-4-carbonyl)-1-N-phenylpiperazine-1,3-dicarboxamide (CID 78455411) is 3-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(morpholine-4-carbonyl)-1-N-phenylpiperazine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(morpholine-4-carbonyl)-1-N-phenylpiperazine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(morpholine-4-carbonyl)-1-N-phenylpiperazine-1,3-dicarboxamide is NC(=O)C(CC1CCCCC1)NC(=O)C1CN(C(=O)Nc2ccccc2)CCN1C(=O)N1CCOCC1.
What is the InChIKey of 3-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(morpholine-4-carbonyl)-1-N-phenylpiperazine-1,3-dicarboxamide?
The InChIKey is URCNZUPYBOLNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N6O5/c27-23(33)21(17-19-7-3-1-4-8-19)29-24(34)22-18-31(25(35)28-20-9-5-2-6-10-20)11-12-32(22)26(36)30-13-15-37-16-14-30/h2,5-6,9-10,19,21-22H,1,3-4,7-8,11-18H2,(H2,27,33)(H,28,35)(H,29,34).
What are the key properties of 3-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(morpholine-4-carbonyl)-1-N-phenylpiperazine-1,3-dicarboxamide?
3-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(morpholine-4-carbonyl)-1-N-phenylpiperazine-1,3-dicarboxamide has a molecular weight of 514.63 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(morpholine-4-carbonyl)-1-N-phenylpiperazine-1,3-dicarboxamide is sourced from PubChem (CID 78455411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).