N-methyl-N-[(4-methylphenyl)methyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide

C23H30N2O — CID 30379432

IUPACN-methyl-N-[(4-methylphenyl)methyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1
InChIInChI=1S/C23H30N2O/c1-18-6-8-20(9-7-18)16-24(3)23(26)22-12-10-21(11-13-22)17-25-14-4-5-19(2)15-25/h6-13,19H,4-5,14-17H2,1-3H3/t19-/m0/s1
InChIKeyIKDYPKLGKCFQPB-IBGZPJMESA-N
MW350.51 g/mol
LogP4.50
Rot. Bonds5

About N-methyl-N-[(4-methylphenyl)methyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide

N-methyl-N-[(4-methylphenyl)methyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide (PubChem CID 30379432) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is N-methyl-N-[(4-methylphenyl)methyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methylphenyl)methyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
PubChem CID30379432
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC NameN-methyl-N-[(4-methylphenyl)methyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1
InChIInChI=1S/C23H30N2O/c1-18-6-8-20(9-7-18)16-24(3)23(26)22-12-10-21(11-13-22)17-25-14-4-5-19(2)15-25/h6-13,19H,4-5,14-17H2,1-3H3/t19-/m0/s1
InChIKeyIKDYPKLGKCFQPB-IBGZPJMESA-N
XLogP4.50
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 43876397
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 51531591
1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone
CID 142372799
1-[(4-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43917349
N-[2-(4-methylphenoxy)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 94020974
methyl 4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzoate
CID 782095
N-methyl-4-[(3-methylpiperidin-1-yl)methyl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 132663656
N-benzyl-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 108997429
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
N-(3,5-dimethylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 93490429
1-(4-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 5043058
N-[4-(diethylaminomethyl)phenyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 99953059

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide?
The IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide (CID 30379432) is N-methyl-N-[(4-methylphenyl)methyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide.
What is the SMILES notation for N-methyl-N-[(4-methylphenyl)methyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide?
The canonical SMILES for N-methyl-N-[(4-methylphenyl)methyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide is Cc1ccc(CN(C)C(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1.
What is the InChIKey of N-methyl-N-[(4-methylphenyl)methyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide?
The InChIKey is IKDYPKLGKCFQPB-IBGZPJMESA-N. The full InChI is InChI=1S/C23H30N2O/c1-18-6-8-20(9-7-18)16-24(3)23(26)22-12-10-21(11-13-22)17-25-14-4-5-19(2)15-25/h6-13,19H,4-5,14-17H2,1-3H3/t19-/m0/s1.
What are the key properties of N-methyl-N-[(4-methylphenyl)methyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide?
N-methyl-N-[(4-methylphenyl)methyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide has a molecular weight of 350.51 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylphenyl)methyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 30379432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).