[3-[[methyl-[2-(N-methylanilino)ethyl]amino]methyl]phenyl]-piperidin-1-ylmethanone

C23H31N3O — CID 136524367

IUPAC[3-[[methyl-[2-(N-methylanilino)ethyl]amino]methyl]phenyl]-piperidin-1-ylmethanone
SMILESCN(CCN(C)c1ccccc1)Cc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C23H31N3O/c1-24(16-17-25(2)22-12-5-3-6-13-22)19-20-10-9-11-21(18-20)23(27)26-14-7-4-8-15-26/h3,5-6,9-13,18H,4,7-8,14-17,19H2,1-2H3
InChIKeyCPOVFLVQDYJMFD-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.88
Rot. Bonds7

About [3-[[methyl-[2-(N-methylanilino)ethyl]amino]methyl]phenyl]-piperidin-1-ylmethanone

[3-[[methyl-[2-(N-methylanilino)ethyl]amino]methyl]phenyl]-piperidin-1-ylmethanone (PubChem CID 136524367) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is [3-[[methyl-[2-(N-methylanilino)ethyl]amino]methyl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[[methyl-[2-(N-methylanilino)ethyl]amino]methyl]phenyl]-piperidin-1-ylmethanone
PubChem CID136524367
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name[3-[[methyl-[2-(N-methylanilino)ethyl]amino]methyl]phenyl]-piperidin-1-ylmethanone
SMILESCN(CCN(C)c1ccccc1)Cc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C23H31N3O/c1-24(16-17-25(2)22-12-5-3-6-13-22)19-20-10-9-11-21(18-20)23(27)26-14-7-4-8-15-26/h3,5-6,9-13,18H,4,7-8,14-17,19H2,1-2H3
InChIKeyCPOVFLVQDYJMFD-UHFFFAOYSA-N
XLogP3.88
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid
CID 119911984
2-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid
CID 119913340
[3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]phenyl]-piperidin-1-ylmethanone
CID 111432744
azepan-1-yl-(3-ethylphenyl)methanone
CID 59382478
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 10828160
1-[3-[[benzyl(methyl)amino]methyl]benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122116998
N-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063284
[3-(chloromethyl)phenyl]-piperidin-1-ylmethanone
CID 10014405
azepan-1-yl-[3-(methylsulfanylmethyl)phenyl]methanone
CID 60667458
[3-[[benzyl(furan-2-ylmethyl)amino]methyl]phenyl]-piperidin-1-ylmethanone
CID 60527668
3-[[2-(dimethylamino)ethyl-methylamino]methyl]benzoic acid
CID 63695430

Frequently Asked Questions

What is the IUPAC name of [3-[[methyl-[2-(N-methylanilino)ethyl]amino]methyl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[[methyl-[2-(N-methylanilino)ethyl]amino]methyl]phenyl]-piperidin-1-ylmethanone (CID 136524367) is [3-[[methyl-[2-(N-methylanilino)ethyl]amino]methyl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[[methyl-[2-(N-methylanilino)ethyl]amino]methyl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[[methyl-[2-(N-methylanilino)ethyl]amino]methyl]phenyl]-piperidin-1-ylmethanone is CN(CCN(C)c1ccccc1)Cc1cccc(C(=O)N2CCCCC2)c1.
What is the InChIKey of [3-[[methyl-[2-(N-methylanilino)ethyl]amino]methyl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is CPOVFLVQDYJMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-24(16-17-25(2)22-12-5-3-6-13-22)19-20-10-9-11-21(18-20)23(27)26-14-7-4-8-15-26/h3,5-6,9-13,18H,4,7-8,14-17,19H2,1-2H3.
What are the key properties of [3-[[methyl-[2-(N-methylanilino)ethyl]amino]methyl]phenyl]-piperidin-1-ylmethanone?
[3-[[methyl-[2-(N-methylanilino)ethyl]amino]methyl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 365.52 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[methyl-[2-(N-methylanilino)ethyl]amino]methyl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 136524367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).