N-[3-(aminomethyl)phenyl]-2-propylpiperidine-1-carboxamide

C16H25N3O — CID 83055508

IUPACN-[3-(aminomethyl)phenyl]-2-propylpiperidine-1-carboxamide
SMILESCCCC1CCCCN1C(=O)Nc1cccc(CN)c1
InChIInChI=1S/C16H25N3O/c1-2-6-15-9-3-4-10-19(15)16(20)18-14-8-5-7-13(11-14)12-17/h5,7-8,11,15H,2-4,6,9-10,12,17H2,1H3,(H,18,20)
InChIKeyRVAWNJBQHNFWSJ-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.33
Rot. Bonds4

About N-[3-(aminomethyl)phenyl]-2-propylpiperidine-1-carboxamide

N-[3-(aminomethyl)phenyl]-2-propylpiperidine-1-carboxamide (PubChem CID 83055508) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-2-propylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-2-propylpiperidine-1-carboxamide
PubChem CID83055508
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[3-(aminomethyl)phenyl]-2-propylpiperidine-1-carboxamide
SMILESCCCC1CCCCN1C(=O)Nc1cccc(CN)c1
InChIInChI=1S/C16H25N3O/c1-2-6-15-9-3-4-10-19(15)16(20)18-14-8-5-7-13(11-14)12-17/h5,7-8,11,15H,2-4,6,9-10,12,17H2,1H3,(H,18,20)
InChIKeyRVAWNJBQHNFWSJ-UHFFFAOYSA-N
XLogP3.33
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(aminomethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide
CID 62478156
N-(3-acetylphenyl)-2-propylpiperidine-1-carboxamide
CID 83046098
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
N-[3-(aminomethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 43628447
2-[1-[(3-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61189756
N-[4-(aminomethyl)phenyl]-2-ethylazepane-1-carboxamide
CID 104690862
(2S)-2-(aminomethyl)-N-[3-(butanoylamino)phenyl]piperidine-1-carboxamide
CID 125164189
N-[3-(methoxymethyl)phenyl]-2-(sulfamoylmethyl)piperidine-1-carboxamide
CID 126839206
2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345932
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
N-[3-(aminomethyl)phenyl]-4-ethylpiperidine-1-carboxamide
CID 61421947
N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide
CID 61346659

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-2-propylpiperidine-1-carboxamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-2-propylpiperidine-1-carboxamide (CID 83055508) is N-[3-(aminomethyl)phenyl]-2-propylpiperidine-1-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-2-propylpiperidine-1-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-2-propylpiperidine-1-carboxamide is CCCC1CCCCN1C(=O)Nc1cccc(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-2-propylpiperidine-1-carboxamide?
The InChIKey is RVAWNJBQHNFWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-6-15-9-3-4-10-19(15)16(20)18-14-8-5-7-13(11-14)12-17/h5,7-8,11,15H,2-4,6,9-10,12,17H2,1H3,(H,18,20).
What are the key properties of N-[3-(aminomethyl)phenyl]-2-propylpiperidine-1-carboxamide?
N-[3-(aminomethyl)phenyl]-2-propylpiperidine-1-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-2-propylpiperidine-1-carboxamide is sourced from PubChem (CID 83055508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).