tert-butyl 4-[(3-methylphenyl)carbamoyl]piperidine-1-carboxylate

C18H26N2O3 — CID 9039069

IUPACtert-butyl 4-[(3-methylphenyl)carbamoyl]piperidine-1-carboxylate
SMILESCc1cccc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C18H26N2O3/c1-13-6-5-7-15(12-13)19-16(21)14-8-10-20(11-9-14)17(22)23-18(2,3)4/h5-7,12,14H,8-11H2,1-4H3,(H,19,21)
InChIKeyCOKLHNZMYHDMPV-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.58
Rot. Bonds2

About tert-butyl 4-[(3-methylphenyl)carbamoyl]piperidine-1-carboxylate

tert-butyl 4-[(3-methylphenyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 9039069) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is tert-butyl 4-[(3-methylphenyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(3-methylphenyl)carbamoyl]piperidine-1-carboxylate
PubChem CID9039069
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Nametert-butyl 4-[(3-methylphenyl)carbamoyl]piperidine-1-carboxylate
SMILESCc1cccc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C18H26N2O3/c1-13-6-5-7-15(12-13)19-16(21)14-8-10-20(11-9-14)17(22)23-18(2,3)4/h5-7,12,14H,8-11H2,1-4H3,(H,19,21)
InChIKeyCOKLHNZMYHDMPV-UHFFFAOYSA-N
XLogP3.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
tert-butyl 4-[(2-bromo-5-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 166607251
tert-butyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 2884114
tert-butyl 4-[[3-[[acetyl(methyl)amino]methyl]phenyl]carbamoyl]piperidine-1-carboxylate
CID 38583979
1-(2,6-dimethoxybenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006125
tert-butyl (3R)-3-[[3-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 156743217
tert-butyl 4-[(2-methoxy-5-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 29206094
1-(3-methylbutanoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006115
tert-butyl 4-[4-[(3-methylphenyl)carbamoylamino]phenyl]piperazine-1-carboxylate
CID 69449699
1-(4-fluorobenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 801213
1-(3,4-dimethylbenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006126
N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 17453629

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(3-methylphenyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(3-methylphenyl)carbamoyl]piperidine-1-carboxylate (CID 9039069) is tert-butyl 4-[(3-methylphenyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(3-methylphenyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(3-methylphenyl)carbamoyl]piperidine-1-carboxylate is Cc1cccc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl 4-[(3-methylphenyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is COKLHNZMYHDMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13-6-5-7-15(12-13)19-16(21)14-8-10-20(11-9-14)17(22)23-18(2,3)4/h5-7,12,14H,8-11H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl 4-[(3-methylphenyl)carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[(3-methylphenyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 318.42 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(3-methylphenyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 9039069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).