(3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(cyclohexanecarbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide

C25H43N5O4 — CID 7164950

IUPAC(3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(cyclohexanecarbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide
SMILESCC(C)NC(=O)N1CCN(C(=O)C2CCCCC2)[C@@H](C(=O)N[C@@H](CC2CCCCC2)C(N)=O)C1
InChIInChI=1S/C25H43N5O4/c1-17(2)27-25(34)29-13-14-30(24(33)19-11-7-4-8-12-19)21(16-29)23(32)28-20(22(26)31)15-18-9-5-3-6-10-18/h17-21H,3-16H2,1-2H3,(H2,26,31)(H,27,34)(H,28,32)/t20-,21+/m0/s1
InChIKeyDKCDCWAZRSHKRF-LEWJYISDSA-N
MW477.65 g/mol
LogP2.14
Rot. Bonds7

About (3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(cyclohexanecarbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide

(3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(cyclohexanecarbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide (PubChem CID 7164950) has the molecular formula C25H43N5O4 and a molecular weight of 477.65 g/mol. Its IUPAC name is (3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(cyclohexanecarbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(cyclohexanecarbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide
PubChem CID7164950
Molecular FormulaC25H43N5O4
Molecular Weight477.65 g/mol
Exact Mass477.33
IUPAC Name(3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(cyclohexanecarbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide
SMILESCC(C)NC(=O)N1CCN(C(=O)C2CCCCC2)[C@@H](C(=O)N[C@@H](CC2CCCCC2)C(N)=O)C1
InChIInChI=1S/C25H43N5O4/c1-17(2)27-25(34)29-13-14-30(24(33)19-11-7-4-8-12-19)21(16-29)23(32)28-20(22(26)31)15-18-9-5-3-6-10-18/h17-21H,3-16H2,1-2H3,(H2,26,31)(H,27,34)(H,28,32)/t20-,21+/m0/s1
InChIKeyDKCDCWAZRSHKRF-LEWJYISDSA-N
XLogP2.14
TPSA124.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.65
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(cyclohexanecarbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide with MolForge

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Related Compounds

Piperidine-1,3-dicarboxylic acid 1-cyclohexylamide 3-cyclohexylmethyl-amide
CID 648462
Cyclohexanecarboxylic acid {1-[(cyclohexyl-methyl-carbamoyl)-methyl]-piperidin-4-yl}-amide
CID 6603003
(S)-N-(1-(3-(4-(3-aminopropylamino)butylamino)propylamino)-3-cyclohexyl-1-oxopropan-2-yl)cyclohexanecarboxamide
CID 49788727
N-[3-(2-ethylpiperidin-1-yl)propyl]-N~2~-[(4-methylcyclohexyl)carbonyl]isoleucinamide
CID 16187988
4-ethyl-N-(3-methyl-1-{[3-(2-methylpiperidin-1-yl)propyl]amino}-1-oxobutan-2-yl)cyclohexanecarboxamide
CID 16187660
(3S,6S,13R)-6-(4-aminobutyl)-3-(cyclohexylmethyl)-13-undecyl-1,4,7,10-tetrazacyclotridecane-2,5,8,11-tetrone
CID 10578846
N-[(2S)-4-(4-methylpiperazin-1-yl)-1-oxo-1-(propan-2-ylamino)butan-2-yl]cyclohexanecarboxamide
CID 126601789
Biemamide B
CID 153455155
Biemamide A
CID 153455158
carboxymethyl-[(2R)-3-cyclohexyl-1-[(2S)-2-[3-(diaminomethylamino)propylcarbamoyl]piperidin-1-yl]-1-oxopropan-2-yl]azanium
CID 78224519
(2R)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N,4-N-di(propan-2-yl)piperazine-1,2,4-tricarboxamide
CID 7164976
1-[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-4-cyclohexylbutanoyl]piperidine-3-carboxamide
CID 16732149

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(cyclohexanecarbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(cyclohexanecarbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide (CID 7164950) is (3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(cyclohexanecarbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(cyclohexanecarbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(cyclohexanecarbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide is CC(C)NC(=O)N1CCN(C(=O)C2CCCCC2)[C@@H](C(=O)N[C@@H](CC2CCCCC2)C(N)=O)C1.
What is the InChIKey of (3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(cyclohexanecarbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide?
The InChIKey is DKCDCWAZRSHKRF-LEWJYISDSA-N. The full InChI is InChI=1S/C25H43N5O4/c1-17(2)27-25(34)29-13-14-30(24(33)19-11-7-4-8-12-19)21(16-29)23(32)28-20(22(26)31)15-18-9-5-3-6-10-18/h17-21H,3-16H2,1-2H3,(H2,26,31)(H,27,34)(H,28,32)/t20-,21+/m0/s1.
What are the key properties of (3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(cyclohexanecarbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide?
(3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(cyclohexanecarbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide has a molecular weight of 477.65 g/mol, XLogP of 2.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(cyclohexanecarbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide is sourced from PubChem (CID 7164950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).