4-[2-(2-methylphenyl)ethylamino]piperidine-1-carboxamide

C15H23N3O — CID 79762949

IUPAC4-[2-(2-methylphenyl)ethylamino]piperidine-1-carboxamide
SMILESCc1ccccc1CCNC1CCN(C(N)=O)CC1
InChIInChI=1S/C15H23N3O/c1-12-4-2-3-5-13(12)6-9-17-14-7-10-18(11-8-14)15(16)19/h2-5,14,17H,6-11H2,1H3,(H2,16,19)
InChIKeyJQVMALLQAMXCBK-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.67
Rot. Bonds4

About 4-[2-(2-methylphenyl)ethylamino]piperidine-1-carboxamide

4-[2-(2-methylphenyl)ethylamino]piperidine-1-carboxamide (PubChem CID 79762949) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[2-(2-methylphenyl)ethylamino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2-methylphenyl)ethylamino]piperidine-1-carboxamide
PubChem CID79762949
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-[2-(2-methylphenyl)ethylamino]piperidine-1-carboxamide
SMILESCc1ccccc1CCNC1CCN(C(N)=O)CC1
InChIInChI=1S/C15H23N3O/c1-12-4-2-3-5-13(12)6-9-17-14-7-10-18(11-8-14)15(16)19/h2-5,14,17H,6-11H2,1H3,(H2,16,19)
InChIKeyJQVMALLQAMXCBK-UHFFFAOYSA-N
XLogP1.67
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methylphenyl)ethyl]-1-propylpiperidin-4-amine
CID 78911476
1-[4-[2-(2-methoxyphenyl)ethylamino]piperidin-1-yl]ethanone
CID 23768743
4-(2-ethyl-6-methylanilino)piperidine-1-carboxamide
CID 54862221
4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxamide
CID 43767026
[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]urea
CID 71985156
4-(benzylamino)piperidine-1-carboxamide
CID 43757030
4-tert-butyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 78911515
4-[[(1R)-1-(2-methylphenyl)ethyl]amino]piperidine-1-carboxamide
CID 81374272
4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]piperidine-1-carboxamide
CID 62037922
1-N-[2-(2-methylphenyl)ethyl]cyclohexane-1,3-diamine
CID 79763318
4-[2-(2-amino-2-oxoethyl)anilino]piperidine-1-carboxamide
CID 43789647
1-[4-[2-(3-methylphenyl)ethylamino]piperidin-1-yl]ethanone
CID 55062758

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylphenyl)ethylamino]piperidine-1-carboxamide?
The IUPAC name of 4-[2-(2-methylphenyl)ethylamino]piperidine-1-carboxamide (CID 79762949) is 4-[2-(2-methylphenyl)ethylamino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(2-methylphenyl)ethylamino]piperidine-1-carboxamide?
The canonical SMILES for 4-[2-(2-methylphenyl)ethylamino]piperidine-1-carboxamide is Cc1ccccc1CCNC1CCN(C(N)=O)CC1.
What is the InChIKey of 4-[2-(2-methylphenyl)ethylamino]piperidine-1-carboxamide?
The InChIKey is JQVMALLQAMXCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-4-2-3-5-13(12)6-9-17-14-7-10-18(11-8-14)15(16)19/h2-5,14,17H,6-11H2,1H3,(H2,16,19).
What are the key properties of 4-[2-(2-methylphenyl)ethylamino]piperidine-1-carboxamide?
4-[2-(2-methylphenyl)ethylamino]piperidine-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylphenyl)ethylamino]piperidine-1-carboxamide is sourced from PubChem (CID 79762949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).