cyclobutylmethyl 3-amino-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate

C24H30N2O2 — CID 137470985

IUPACcyclobutylmethyl 3-amino-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
SMILESNC1CCCN(C(=O)OCC2CCC2)C1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C24H30N2O2/c25-22-13-6-14-26(24(27)28-17-18-7-4-8-18)23(22)16-19-9-5-12-21(15-19)20-10-2-1-3-11-20/h1-3,5,9-12,15,18,22-23H,4,6-8,13-14,16-17,25H2
InChIKeyNRDOVHGXZXWUBA-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.62
Rot. Bonds5

About cyclobutylmethyl 3-amino-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate

cyclobutylmethyl 3-amino-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate (PubChem CID 137470985) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is cyclobutylmethyl 3-amino-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namecyclobutylmethyl 3-amino-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
PubChem CID137470985
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Namecyclobutylmethyl 3-amino-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
SMILESNC1CCCN(C(=O)OCC2CCC2)C1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C24H30N2O2/c25-22-13-6-14-26(24(27)28-17-18-7-4-8-18)23(22)16-19-9-5-12-21(15-19)20-10-2-1-3-11-20/h1-3,5,9-12,15,18,22-23H,4,6-8,13-14,16-17,25H2
InChIKeyNRDOVHGXZXWUBA-UHFFFAOYSA-N
XLogP4.62
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-amino-2-[[3-(4-methylphenyl)phenyl]methyl]piperidine-1-carboxylate
CID 137470993
cyclopropylmethyl (2S,3S)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461385
3-amino-2-[(3-phenylphenyl)methyl]pyrrolidine-1-carboxylic acid
CID 154960242
oxolan-2-ylmethyl 3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461161
2-methoxyethyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137460911
2-methylpropyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461277
2,2-difluoroethyl (2S,3S)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137462199
2,2,2-trifluoroethyl 3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461560
ethyl 3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylate
CID 137470952
phenyl 3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461708
cyclopropyl 3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461302
methyl 3-(dimethylsulfamoylamino)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137462046

Frequently Asked Questions

What is the IUPAC name of cyclobutylmethyl 3-amino-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate?
The IUPAC name of cyclobutylmethyl 3-amino-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate (CID 137470985) is cyclobutylmethyl 3-amino-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for cyclobutylmethyl 3-amino-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate?
The canonical SMILES for cyclobutylmethyl 3-amino-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate is NC1CCCN(C(=O)OCC2CCC2)C1Cc1cccc(-c2ccccc2)c1.
What is the InChIKey of cyclobutylmethyl 3-amino-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate?
The InChIKey is NRDOVHGXZXWUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c25-22-13-6-14-26(24(27)28-17-18-7-4-8-18)23(22)16-19-9-5-12-21(15-19)20-10-2-1-3-11-20/h1-3,5,9-12,15,18,22-23H,4,6-8,13-14,16-17,25H2.
What are the key properties of cyclobutylmethyl 3-amino-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate?
cyclobutylmethyl 3-amino-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate has a molecular weight of 378.52 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutylmethyl 3-amino-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 137470985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).