1-N-[4-(aminomethyl)phenyl]-4-N-methylpiperidine-1,4-dicarboxamide

C15H22N4O2 — CID 61440098

IUPAC1-N-[4-(aminomethyl)phenyl]-4-N-methylpiperidine-1,4-dicarboxamide
SMILESCNC(=O)C1CCN(C(=O)Nc2ccc(CN)cc2)CC1
InChIInChI=1S/C15H22N4O2/c1-17-14(20)12-6-8-19(9-7-12)15(21)18-13-4-2-11(10-16)3-5-13/h2-5,12H,6-10,16H2,1H3,(H,17,20)(H,18,21)
InChIKeyAWQZSQBYEZUQNR-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.14
Rot. Bonds3

About 1-N-[4-(aminomethyl)phenyl]-4-N-methylpiperidine-1,4-dicarboxamide

1-N-[4-(aminomethyl)phenyl]-4-N-methylpiperidine-1,4-dicarboxamide (PubChem CID 61440098) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-N-[4-(aminomethyl)phenyl]-4-N-methylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[4-(aminomethyl)phenyl]-4-N-methylpiperidine-1,4-dicarboxamide
PubChem CID61440098
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-N-[4-(aminomethyl)phenyl]-4-N-methylpiperidine-1,4-dicarboxamide
SMILESCNC(=O)C1CCN(C(=O)Nc2ccc(CN)cc2)CC1
InChIInChI=1S/C15H22N4O2/c1-17-14(20)12-6-8-19(9-7-12)15(21)18-13-4-2-11(10-16)3-5-13/h2-5,12H,6-10,16H2,1H3,(H,17,20)(H,18,21)
InChIKeyAWQZSQBYEZUQNR-UHFFFAOYSA-N
XLogP1.14
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 43133019
4-N-methyl-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 84531623
N-[4-(aminomethyl)phenyl]-3,4-dihydroxypyrrolidine-1-carboxamide
CID 106670528
N-[4-[[4-(aminomethyl)benzoyl]amino]phenyl]azepane-1-carboxamide
CID 119310690
N-[4-(aminomethyl)phenyl]-4-ethyl-4-methylpiperidine-1-carboxamide
CID 63161794
1-N-[4-(aminomethyl)phenyl]-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide
CID 106319264
N-[4-(aminomethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 43592283
1-(4-acetamidobenzoyl)-N-methylpiperidine-4-carboxamide
CID 20973013
N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide
CID 16775689
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylpiperidine-4-carboxamide
CID 43576087
[4-[[4-(aminomethyl)phenyl]carbamoyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174932806
ethyl 1-[[4-[(1-ethoxycarbonylpiperidine-4-carbonyl)amino]phenyl]carbamoyl]piperidine-4-carboxylate
CID 3240420

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(aminomethyl)phenyl]-4-N-methylpiperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[4-(aminomethyl)phenyl]-4-N-methylpiperidine-1,4-dicarboxamide (CID 61440098) is 1-N-[4-(aminomethyl)phenyl]-4-N-methylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[4-(aminomethyl)phenyl]-4-N-methylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[4-(aminomethyl)phenyl]-4-N-methylpiperidine-1,4-dicarboxamide is CNC(=O)C1CCN(C(=O)Nc2ccc(CN)cc2)CC1.
What is the InChIKey of 1-N-[4-(aminomethyl)phenyl]-4-N-methylpiperidine-1,4-dicarboxamide?
The InChIKey is AWQZSQBYEZUQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-17-14(20)12-6-8-19(9-7-12)15(21)18-13-4-2-11(10-16)3-5-13/h2-5,12H,6-10,16H2,1H3,(H,17,20)(H,18,21).
What are the key properties of 1-N-[4-(aminomethyl)phenyl]-4-N-methylpiperidine-1,4-dicarboxamide?
1-N-[4-(aminomethyl)phenyl]-4-N-methylpiperidine-1,4-dicarboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(aminomethyl)phenyl]-4-N-methylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 61440098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).