ethyl 4-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]piperidine-1-carboxylate

C23H35N3O3 — CID 43044561

IUPACethyl 4-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)Nc2ccccc2CN(C)C2CCCCC2)CC1
InChIInChI=1S/C23H35N3O3/c1-3-29-23(28)26-15-13-18(14-16-26)22(27)24-21-12-8-7-9-19(21)17-25(2)20-10-5-4-6-11-20/h7-9,12,18,20H,3-6,10-11,13-17H2,1-2H3,(H,24,27)
InChIKeyFLKFHZLHIMJHKJ-UHFFFAOYSA-N
MW401.55 g/mol
LogP4.26
Rot. Bonds6

About ethyl 4-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]piperidine-1-carboxylate

ethyl 4-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 43044561) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is ethyl 4-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]piperidine-1-carboxylate
PubChem CID43044561
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC Nameethyl 4-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)Nc2ccccc2CN(C)C2CCCCC2)CC1
InChIInChI=1S/C23H35N3O3/c1-3-29-23(28)26-15-13-18(14-16-26)22(27)24-21-12-8-7-9-19(21)17-25(2)20-10-5-4-6-11-20/h7-9,12,18,20H,3-6,10-11,13-17H2,1-2H3,(H,24,27)
InChIKeyFLKFHZLHIMJHKJ-UHFFFAOYSA-N
XLogP4.26
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[2-[(dimethylamino)methyl]phenyl]piperidine-4-carboxamide
CID 47029013
N-[2-[(dimethylamino)methyl]phenyl]cyclohexanecarboxamide
CID 31969965
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 31030473
cis-(1S,2R)-2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 166254818
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 71943341
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methoxyphenyl)acetamide
CID 51307622
4-[[4-(cyclohexanecarbonylamino)naphthalen-1-yl]-sulfinatoamino]-1-ethoxycarbonylpiperidine
CID 66997439
4-[[5-(cyclohexanecarbonylamino)naphthalen-1-yl]-sulfinoamino]-1-ethoxycarbonylpiperidine
CID 66998237
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 18146366
(2S,5R)-5-(aminomethyl)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 120796874
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 43042241
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]piperidine-1-carboxylate (CID 43044561) is ethyl 4-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(C(=O)Nc2ccccc2CN(C)C2CCCCC2)CC1.
What is the InChIKey of ethyl 4-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is FLKFHZLHIMJHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-3-29-23(28)26-15-13-18(14-16-26)22(27)24-21-12-8-7-9-19(21)17-25(2)20-10-5-4-6-11-20/h7-9,12,18,20H,3-6,10-11,13-17H2,1-2H3,(H,24,27).
What are the key properties of ethyl 4-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]piperidine-1-carboxylate?
ethyl 4-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 401.55 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 43044561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).