N-[3-(aminomethyl)phenyl]-N-methylpiperidine-1-carboxamide

C14H21N3O — CID 79155347

IUPACN-[3-(aminomethyl)phenyl]-N-methylpiperidine-1-carboxamide
SMILESCN(C(=O)N1CCCCC1)c1cccc(CN)c1
InChIInChI=1S/C14H21N3O/c1-16(13-7-5-6-12(10-13)11-15)14(18)17-8-3-2-4-9-17/h5-7,10H,2-4,8-9,11,15H2,1H3
InChIKeyDKQDQYPFACINHB-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.19
Rot. Bonds2

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

N-[3-(aminomethyl)phenyl]-N-methylpiperidine-1-carboxamide (PubChem CID 79155347) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-N-methylpiperidine-1-carboxamide
PubChem CID79155347
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[3-(aminomethyl)phenyl]-N-methylpiperidine-1-carboxamide
SMILESCN(C(=O)N1CCCCC1)c1cccc(CN)c1
InChIInChI=1S/C14H21N3O/c1-16(13-7-5-6-12(10-13)11-15)14(18)17-8-3-2-4-9-17/h5-7,10H,2-4,8-9,11,15H2,1H3
InChIKeyDKQDQYPFACINHB-UHFFFAOYSA-N
XLogP2.19
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminophenyl)-N-methylazepane-1-carboxamide
CID 79152179
2-[3-(aminomethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone
CID 62969965
N-methyl-N-phenylpiperidine-1-carboxamide
CID 54133936
N-[3-(aminomethyl)phenyl]-N-methylacetamide
CID 2760942
N-[3-(aminomethyl)phenyl]-N-methylcyclopropanecarboxamide
CID 62970436
N-(3-cyanophenyl)-N-methylazepane-1-carboxamide
CID 79152194
[3-(aminomethyl)phenyl]-methylcarbamothioic S-acid
CID 174643734
N-[[4-(aminomethyl)phenyl]methyl]-N-methylazepane-1-carboxamide
CID 79152363
N-[3-(aminomethyl)phenyl]-N-methyl-2-propan-2-yloxyacetamide
CID 112601744
2-[4-(aminomethyl)-N-methylanilino]-1-(azepan-1-yl)ethanone
CID 43275613
4-[methyl(pyrrolidine-1-carbonyl)amino]benzoic acid
CID 104698233
2-[[4-(aminomethyl)phenyl]methyl-methylamino]-1-(azepan-1-yl)ethanone
CID 60922094

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-N-methylpiperidine-1-carboxamide (CID 79155347) is N-[3-(aminomethyl)phenyl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-N-methylpiperidine-1-carboxamide is CN(C(=O)N1CCCCC1)c1cccc(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-N-methylpiperidine-1-carboxamide?
The InChIKey is DKQDQYPFACINHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16(13-7-5-6-12(10-13)11-15)14(18)17-8-3-2-4-9-17/h5-7,10H,2-4,8-9,11,15H2,1H3.
What are the key properties of N-[3-(aminomethyl)phenyl]-N-methylpiperidine-1-carboxamide?
N-[3-(aminomethyl)phenyl]-N-methylpiperidine-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79155347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).