1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide

C13H19N3O — CID 43188147

IUPAC1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide
SMILESNCc1ccc(N2CCCC(C(N)=O)C2)cc1
InChIInChI=1S/C13H19N3O/c14-8-10-3-5-12(6-4-10)16-7-1-2-11(9-16)13(15)17/h3-6,11H,1-2,7-9,14H2,(H2,15,17)
InChIKeyYTLTVQZZOODNAT-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.85
Rot. Bonds3

About 1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide

1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide (PubChem CID 43188147) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide
PubChem CID43188147
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide
SMILESNCc1ccc(N2CCCC(C(N)=O)C2)cc1
InChIInChI=1S/C13H19N3O/c14-8-10-3-5-12(6-4-10)16-7-1-2-11(9-16)13(15)17/h3-6,11H,1-2,7-9,14H2,(H2,15,17)
InChIKeyYTLTVQZZOODNAT-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-[4-(methanesulfonamidomethyl)phenyl]piperidine-3-carboxamide
CID 94640128
(3R)-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]piperidine-3-carboxamide
CID 94173719
1-(4-ethylphenyl)pyrrolidine-3-carboxamide
CID 117008157
(3R)-1-(4-nitrophenyl)piperidine-3-carboxamide
CID 33114657
1-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]piperidine-3-carboxamide
CID 47064463
[4-(3-fluoropiperidin-1-yl)phenyl]methanamine
CID 83854012
1-[4-[[(3-methoxyphenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide
CID 51120625
1-[4-[(furan-2-carbonylamino)methyl]phenyl]piperidine-3-carboxamide
CID 56797802
(3S)-1-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide
CID 94531394
(3R)-1-[4-[[(5-methylfuran-2-carbonyl)amino]methyl]phenyl]piperidine-3-carboxamide
CID 94632476
1-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 117008259
1-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]piperidine-3-carboxamide
CID 47062453

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide (CID 43188147) is 1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide is NCc1ccc(N2CCCC(C(N)=O)C2)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is YTLTVQZZOODNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-8-10-3-5-12(6-4-10)16-7-1-2-11(9-16)13(15)17/h3-6,11H,1-2,7-9,14H2,(H2,15,17).
What are the key properties of 1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide?
1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 43188147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).