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

C13H20N4O — CID 43133032

IUPACN-[3-(aminomethyl)phenyl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2cccc(CN)c2)CC1
InChIInChI=1S/C13H20N4O/c1-16-5-7-17(8-6-16)13(18)15-12-4-2-3-11(9-12)10-14/h2-4,9H,5-8,10,14H2,1H3,(H,15,18)
InChIKeyJNFRFQOEHTZSKT-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.92
Rot. Bonds2

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

N-[3-(aminomethyl)phenyl]-4-methylpiperazine-1-carboxamide (PubChem CID 43133032) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-4-methylpiperazine-1-carboxamide
PubChem CID43133032
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-[3-(aminomethyl)phenyl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2cccc(CN)c2)CC1
InChIInChI=1S/C13H20N4O/c1-16-5-7-17(8-6-16)13(18)15-12-4-2-3-11(9-12)10-14/h2-4,9H,5-8,10,14H2,1H3,(H,15,18)
InChIKeyJNFRFQOEHTZSKT-UHFFFAOYSA-N
XLogP0.92
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)phenyl]-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 81116359
N-[3-(aminomethyl)phenyl]-4-ethylpiperidine-1-carboxamide
CID 61421947
N-[3-(aminomethyl)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 106836739
4-methyl-N-[3-(3,3,3-trifluoropropyl)phenyl]-1,4-diazepane-1-carboxamide
CID 75500148
(1R,5R)-N-[3-(aminomethyl)phenyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide
CID 74243413
N-[4-[[3-(aminomethyl)phenyl]carbamoyl]phenyl]piperazine-1-carboxamide
CID 174909845
N-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide
CID 102961731
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
N-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 112725657
(9aS)-N-(3-ethylphenyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 98743883
4-[3-(aminomethyl)phenyl]-N-phenylpiperidine-1-carboxamide
CID 141045958
N-[3-(hydroxymethyl)phenyl]azepane-1-carboxamide
CID 79151936

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-4-methylpiperazine-1-carboxamide (CID 43133032) is N-[3-(aminomethyl)phenyl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)Nc2cccc(CN)c2)CC1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-4-methylpiperazine-1-carboxamide?
The InChIKey is JNFRFQOEHTZSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-16-5-7-17(8-6-16)13(18)15-12-4-2-3-11(9-12)10-14/h2-4,9H,5-8,10,14H2,1H3,(H,15,18).
What are the key properties of N-[3-(aminomethyl)phenyl]-4-methylpiperazine-1-carboxamide?
N-[3-(aminomethyl)phenyl]-4-methylpiperazine-1-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 43133032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).