4-(1-aminoethyl)-N-(3-methylphenyl)piperidine-1-carboxamide

C15H23N3O — CID 63596208

IUPAC4-(1-aminoethyl)-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC(C(C)N)CC2)c1
InChIInChI=1S/C15H23N3O/c1-11-4-3-5-14(10-11)17-15(19)18-8-6-13(7-9-18)12(2)16/h3-5,10,12-13H,6-9,16H2,1-2H3,(H,17,19)
InChIKeyROXHQKXZMKQXFY-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.59
Rot. Bonds2

About 4-(1-aminoethyl)-N-(3-methylphenyl)piperidine-1-carboxamide

4-(1-aminoethyl)-N-(3-methylphenyl)piperidine-1-carboxamide (PubChem CID 63596208) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-(3-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-(3-methylphenyl)piperidine-1-carboxamide
PubChem CID63596208
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-(1-aminoethyl)-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC(C(C)N)CC2)c1
InChIInChI=1S/C15H23N3O/c1-11-4-3-5-14(10-11)17-15(19)18-8-6-13(7-9-18)12(2)16/h3-5,10,12-13H,6-9,16H2,1-2H3,(H,17,19)
InChIKeyROXHQKXZMKQXFY-UHFFFAOYSA-N
XLogP2.59
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 16645831
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
4-N-methyl-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 84531623
N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 59001093
4-(methanesulfonamido)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 41430122
4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide
CID 121187164
4-(1-amino-1-sulfanylidenepropan-2-yl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 63343703
(3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 79411041
N-(3-chlorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 103655893
N-[3-(aminomethyl)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 106836739
4-benzamido-N-(3-methylphenyl)piperidine-1-carboxamide
CID 43814049

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-(3-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(1-aminoethyl)-N-(3-methylphenyl)piperidine-1-carboxamide (CID 63596208) is 4-(1-aminoethyl)-N-(3-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1-aminoethyl)-N-(3-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1-aminoethyl)-N-(3-methylphenyl)piperidine-1-carboxamide is Cc1cccc(NC(=O)N2CCC(C(C)N)CC2)c1.
What is the InChIKey of 4-(1-aminoethyl)-N-(3-methylphenyl)piperidine-1-carboxamide?
The InChIKey is ROXHQKXZMKQXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-4-3-5-14(10-11)17-15(19)18-8-6-13(7-9-18)12(2)16/h3-5,10,12-13H,6-9,16H2,1-2H3,(H,17,19).
What are the key properties of 4-(1-aminoethyl)-N-(3-methylphenyl)piperidine-1-carboxamide?
4-(1-aminoethyl)-N-(3-methylphenyl)piperidine-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-(3-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 63596208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).