1-[(4-aminophenyl)methyl]piperidine-4-carboxamide

C13H19N3O — CID 16788434

IUPAC1-[(4-aminophenyl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2ccc(N)cc2)CC1
InChIInChI=1S/C13H19N3O/c14-12-3-1-10(2-4-12)9-16-7-5-11(6-8-16)13(15)17/h1-4,11H,5-9,14H2,(H2,15,17)
InChIKeyLVHRNLYLGLNXLJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.97
Rot. Bonds3

About 1-[(4-aminophenyl)methyl]piperidine-4-carboxamide

1-[(4-aminophenyl)methyl]piperidine-4-carboxamide (PubChem CID 16788434) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[(4-aminophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-aminophenyl)methyl]piperidine-4-carboxamide
PubChem CID16788434
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-[(4-aminophenyl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2ccc(N)cc2)CC1
InChIInChI=1S/C13H19N3O/c14-12-3-1-10(2-4-12)9-16-7-5-11(6-8-16)13(15)17/h1-4,11H,5-9,14H2,(H2,15,17)
InChIKeyLVHRNLYLGLNXLJ-UHFFFAOYSA-N
XLogP0.97
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(4-bromophenyl)methyl]piperidine-4-carboxamide
CID 783332
sodium 4-[(4-carbamoylpiperidin-1-yl)methyl]phenolate
CID 57448397
1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 45109747
1-[(3-amino-4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 43169014
1-[(4-aminophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 69105973
3-[4-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]prop-2-enoic acid
CID 76909265
1-[[4-[[(2-chloroacetyl)amino]methyl]phenyl]methyl]piperidine-4-carboxamide
CID 154871087
1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidine-4-carboxamide
CID 75504045
4-[(4-fluoropiperidin-1-yl)methyl]aniline
CID 68980822
1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 5180016
[1-[(4-aminophenyl)methyl]piperidin-4-yl]methanol;hydrochloride
CID 170916888
1-[(4-aminophenyl)methyl]piperidin-4-ol;bicyclo[2.2.0]hexa-1,3,5-triene
CID 174445442

Frequently Asked Questions

What is the IUPAC name of 1-[(4-aminophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(4-aminophenyl)methyl]piperidine-4-carboxamide (CID 16788434) is 1-[(4-aminophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-aminophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-aminophenyl)methyl]piperidine-4-carboxamide is NC(=O)C1CCN(Cc2ccc(N)cc2)CC1.
What is the InChIKey of 1-[(4-aminophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is LVHRNLYLGLNXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-12-3-1-10(2-4-12)9-16-7-5-11(6-8-16)13(15)17/h1-4,11H,5-9,14H2,(H2,15,17).
What are the key properties of 1-[(4-aminophenyl)methyl]piperidine-4-carboxamide?
1-[(4-aminophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-aminophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 16788434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).