(3R)-1-N-cyclohexyl-4-(4-methoxybenzoyl)-3-N-[(3S)-2-oxopiperidin-3-yl]piperazine-1,3-dicarboxamide

C25H35N5O5 — CID 11912207

IUPAC(3R)-1-N-cyclohexyl-4-(4-methoxybenzoyl)-3-N-[(3S)-2-oxopiperidin-3-yl]piperazine-1,3-dicarboxamide
SMILESCOc1ccc(C(=O)N2CCN(C(=O)NC3CCCCC3)C[C@@H]2C(=O)N[C@H]2CCCNC2=O)cc1
InChIInChI=1S/C25H35N5O5/c1-35-19-11-9-17(10-12-19)24(33)30-15-14-29(25(34)27-18-6-3-2-4-7-18)16-21(30)23(32)28-20-8-5-13-26-22(20)31/h9-12,18,20-21H,2-8,13-16H2,1H3,(H,26,31)(H,27,34)(H,28,32)/t20-,21+/m0/s1
InChIKeyKTMCJTIVPCJVGE-LEWJYISDSA-N
MW485.59 g/mol
LogP1.26
Rot. Bonds5

About (3R)-1-N-cyclohexyl-4-(4-methoxybenzoyl)-3-N-[(3S)-2-oxopiperidin-3-yl]piperazine-1,3-dicarboxamide

(3R)-1-N-cyclohexyl-4-(4-methoxybenzoyl)-3-N-[(3S)-2-oxopiperidin-3-yl]piperazine-1,3-dicarboxamide (PubChem CID 11912207) has the molecular formula C25H35N5O5 and a molecular weight of 485.59 g/mol. Its IUPAC name is (3R)-1-N-cyclohexyl-4-(4-methoxybenzoyl)-3-N-[(3S)-2-oxopiperidin-3-yl]piperazine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-1-N-cyclohexyl-4-(4-methoxybenzoyl)-3-N-[(3S)-2-oxopiperidin-3-yl]piperazine-1,3-dicarboxamide
PubChem CID11912207
Molecular FormulaC25H35N5O5
Molecular Weight485.59 g/mol
Exact Mass485.26
IUPAC Name(3R)-1-N-cyclohexyl-4-(4-methoxybenzoyl)-3-N-[(3S)-2-oxopiperidin-3-yl]piperazine-1,3-dicarboxamide
SMILESCOc1ccc(C(=O)N2CCN(C(=O)NC3CCCCC3)C[C@@H]2C(=O)N[C@H]2CCCNC2=O)cc1
InChIInChI=1S/C25H35N5O5/c1-35-19-11-9-17(10-12-19)24(33)30-15-14-29(25(34)27-18-6-3-2-4-7-18)16-21(30)23(32)28-20-8-5-13-26-22(20)31/h9-12,18,20-21H,2-8,13-16H2,1H3,(H,26,31)(H,27,34)(H,28,32)/t20-,21+/m0/s1
InChIKeyKTMCJTIVPCJVGE-LEWJYISDSA-N
XLogP1.26
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3R)-1-N-cyclohexyl-4-(4-methoxybenzoyl)-3-N-[(3S)-2-oxopiperidin-3-yl]piperazine-1,3-dicarboxamide with MolForge

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Launch Full Analysis

Related Compounds

(2R)-4-[4-(dimethylamino)benzoyl]-1-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 9381953
1-(4-methoxybenzoyl)-N-(2-oxopiperidin-3-yl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide
CID 73139083
(2S)-1-(2-methoxyacetyl)-4-(4-methoxybenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 163097256
(2R)-1-(4-methoxybenzoyl)-4-methylsulfonyl-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 11912362
(2R)-1-(2-aminoacetyl)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 7682218
4-(cyclohexanecarbonyl)-1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)piperazine-1,3-dicarboxamide
CID 73139978
1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide
CID 162990141
(3S)-4-benzoyl-3-N-[(3S)-2-oxopiperidin-3-yl]-1-N-propan-2-ylpiperazine-1,3-dicarboxamide
CID 7682191
(2R)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 7682216
(2S)-1-[4-(dimethylamino)benzoyl]-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 11911666
1-N-(3-methoxyphenyl)-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide
CID 78524400
4-(4-cyanobenzoyl)-1-[4-(dimethylamino)benzoyl]-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide
CID 73138595

Frequently Asked Questions

What is the IUPAC name of (3R)-1-N-cyclohexyl-4-(4-methoxybenzoyl)-3-N-[(3S)-2-oxopiperidin-3-yl]piperazine-1,3-dicarboxamide?
The IUPAC name of (3R)-1-N-cyclohexyl-4-(4-methoxybenzoyl)-3-N-[(3S)-2-oxopiperidin-3-yl]piperazine-1,3-dicarboxamide (CID 11912207) is (3R)-1-N-cyclohexyl-4-(4-methoxybenzoyl)-3-N-[(3S)-2-oxopiperidin-3-yl]piperazine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-1-N-cyclohexyl-4-(4-methoxybenzoyl)-3-N-[(3S)-2-oxopiperidin-3-yl]piperazine-1,3-dicarboxamide?
The canonical SMILES for (3R)-1-N-cyclohexyl-4-(4-methoxybenzoyl)-3-N-[(3S)-2-oxopiperidin-3-yl]piperazine-1,3-dicarboxamide is COc1ccc(C(=O)N2CCN(C(=O)NC3CCCCC3)C[C@@H]2C(=O)N[C@H]2CCCNC2=O)cc1.
What is the InChIKey of (3R)-1-N-cyclohexyl-4-(4-methoxybenzoyl)-3-N-[(3S)-2-oxopiperidin-3-yl]piperazine-1,3-dicarboxamide?
The InChIKey is KTMCJTIVPCJVGE-LEWJYISDSA-N. The full InChI is InChI=1S/C25H35N5O5/c1-35-19-11-9-17(10-12-19)24(33)30-15-14-29(25(34)27-18-6-3-2-4-7-18)16-21(30)23(32)28-20-8-5-13-26-22(20)31/h9-12,18,20-21H,2-8,13-16H2,1H3,(H,26,31)(H,27,34)(H,28,32)/t20-,21+/m0/s1.
What are the key properties of (3R)-1-N-cyclohexyl-4-(4-methoxybenzoyl)-3-N-[(3S)-2-oxopiperidin-3-yl]piperazine-1,3-dicarboxamide?
(3R)-1-N-cyclohexyl-4-(4-methoxybenzoyl)-3-N-[(3S)-2-oxopiperidin-3-yl]piperazine-1,3-dicarboxamide has a molecular weight of 485.59 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N-cyclohexyl-4-(4-methoxybenzoyl)-3-N-[(3S)-2-oxopiperidin-3-yl]piperazine-1,3-dicarboxamide is sourced from PubChem (CID 11912207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).