4-[3-(aminomethyl)phenyl]-N-phenylpiperidine-1-carboxamide

C19H23N3O — CID 141045958

IUPAC4-[3-(aminomethyl)phenyl]-N-phenylpiperidine-1-carboxamide
SMILESNCc1cccc(C2CCN(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C19H23N3O/c20-14-15-5-4-6-17(13-15)16-9-11-22(12-10-16)19(23)21-18-7-2-1-3-8-18/h1-8,13,16H,9-12,14,20H2,(H,21,23)
InChIKeySKRYCAGEELJIOI-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.56
Rot. Bonds3

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

4-[3-(aminomethyl)phenyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 141045958) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-[3-(aminomethyl)phenyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(aminomethyl)phenyl]-N-phenylpiperidine-1-carboxamide
PubChem CID141045958
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name4-[3-(aminomethyl)phenyl]-N-phenylpiperidine-1-carboxamide
SMILESNCc1cccc(C2CCN(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C19H23N3O/c20-14-15-5-4-6-17(13-15)16-9-11-22(12-10-16)19(23)21-18-7-2-1-3-8-18/h1-8,13,16H,9-12,14,20H2,(H,21,23)
InChIKeySKRYCAGEELJIOI-UHFFFAOYSA-N
XLogP3.56
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid
CID 22266122
N-[3-(aminomethyl)phenyl]-4-ethylpiperidine-1-carboxamide
CID 61421947
1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-5-phenylpentan-1-one
CID 23587223
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-benzylphenyl)methanone
CID 139986726
4-[3-(aminomethyl)phenyl]-N-[(3,4-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 23587403
1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-4-phenylbut-3-en-1-one
CID 74066906
3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 5112154
N-[3-(aminomethyl)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 106836739
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-ethylphenyl)methanone
CID 22265908
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 23587358
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 23587339

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)phenyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[3-(aminomethyl)phenyl]-N-phenylpiperidine-1-carboxamide (CID 141045958) is 4-[3-(aminomethyl)phenyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[3-(aminomethyl)phenyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[3-(aminomethyl)phenyl]-N-phenylpiperidine-1-carboxamide is NCc1cccc(C2CCN(C(=O)Nc3ccccc3)CC2)c1.
What is the InChIKey of 4-[3-(aminomethyl)phenyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is SKRYCAGEELJIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c20-14-15-5-4-6-17(13-15)16-9-11-22(12-10-16)19(23)21-18-7-2-1-3-8-18/h1-8,13,16H,9-12,14,20H2,(H,21,23).
What are the key properties of 4-[3-(aminomethyl)phenyl]-N-phenylpiperidine-1-carboxamide?
4-[3-(aminomethyl)phenyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)phenyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 141045958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).