trans-(1S,2S)-2-[[3-(piperidine-1-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate

C20H25N2O4- — CID 6964103

IUPACtrans-(1S,2S)-2-[[3-(piperidine-1-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate
SMILESO=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C20H26N2O4/c23-18(16-9-2-3-10-17(16)20(25)26)21-15-8-6-7-14(13-15)19(24)22-11-4-1-5-12-22/h6-8,13,16-17H,1-5,9-12H2,(H,21,23)(H,25,26)/p-1/t16-,17-/m0/s1
InChIKeyVDZNFNDMTIDYPK-IRXDYDNUSA-M
MW357.43 g/mol
LogP1.81
Rot. Bonds4

About trans-(1S,2S)-2-[[3-(piperidine-1-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate

trans-(1S,2S)-2-[[3-(piperidine-1-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate (PubChem CID 6964103) has the molecular formula C20H25N2O4- and a molecular weight of 357.43 g/mol. Its IUPAC name is trans-(1S,2S)-2-[[3-(piperidine-1-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[[3-(piperidine-1-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate
PubChem CID6964103
Molecular FormulaC20H25N2O4-
Molecular Weight357.43 g/mol
Exact Mass357.18
IUPAC Nametrans-(1S,2S)-2-[[3-(piperidine-1-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate
SMILESO=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C20H26N2O4/c23-18(16-9-2-3-10-17(16)20(25)26)21-15-8-6-7-14(13-15)19(24)22-11-4-1-5-12-22/h6-8,13,16-17H,1-5,9-12H2,(H,21,23)(H,25,26)/p-1/t16-,17-/m0/s1
InChIKeyVDZNFNDMTIDYPK-IRXDYDNUSA-M
XLogP1.81
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze trans-(1S,2S)-2-[[3-(piperidine-1-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate 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

cis-(1S,2R)-2-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 28637437
(1S,6R)-6-[[3-(piperidine-1-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1080168
N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31611202
N-[3-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119740159
trans-(1S,2S)-2-[(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6592948
2-[(3-chlorophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 4744720
(2S,4S)-2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 120624438
3-[[(1R,2R)-2-carboxycyclohexanecarbonyl]amino]benzoic acid
CID 761879
(2S,4S)-2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120624437
N-[3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 55649623
2-[cyclohexyl(methyl)amino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54817312
N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 112506999

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[[3-(piperidine-1-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate?
The IUPAC name of trans-(1S,2S)-2-[[3-(piperidine-1-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate (CID 6964103) is trans-(1S,2S)-2-[[3-(piperidine-1-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate.
What is the SMILES notation for trans-(1S,2S)-2-[[3-(piperidine-1-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate?
The canonical SMILES for trans-(1S,2S)-2-[[3-(piperidine-1-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate is O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1cccc(C(=O)N2CCCCC2)c1.
What is the InChIKey of trans-(1S,2S)-2-[[3-(piperidine-1-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate?
The InChIKey is VDZNFNDMTIDYPK-IRXDYDNUSA-M. The full InChI is InChI=1S/C20H26N2O4/c23-18(16-9-2-3-10-17(16)20(25)26)21-15-8-6-7-14(13-15)19(24)22-11-4-1-5-12-22/h6-8,13,16-17H,1-5,9-12H2,(H,21,23)(H,25,26)/p-1/t16-,17-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[[3-(piperidine-1-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate?
trans-(1S,2S)-2-[[3-(piperidine-1-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate has a molecular weight of 357.43 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[[3-(piperidine-1-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 6964103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).