N-[3-[[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]amino]phenyl]acetamide

C21H27N3O — CID 68964157

IUPACN-[3-[[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)c1
InChIInChI=1S/C21H27N3O/c1-16-14-24(15-18-7-4-3-5-8-18)12-11-21(16)23-20-10-6-9-19(13-20)22-17(2)25/h3-10,13,16,21,23H,11-12,14-15H2,1-2H3,(H,22,25)/t16-,21+/m1/s1
InChIKeyBAOXPTQYHRIXNW-IERDGZPVSA-N
MW337.47 g/mol
LogP3.97
Rot. Bonds5

About N-[3-[[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]amino]phenyl]acetamide

N-[3-[[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]amino]phenyl]acetamide (PubChem CID 68964157) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[3-[[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]amino]phenyl]acetamide
PubChem CID68964157
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-[3-[[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)c1
InChIInChI=1S/C21H27N3O/c1-16-14-24(15-18-7-4-3-5-8-18)12-11-21(16)23-20-10-6-9-19(13-20)22-17(2)25/h3-10,13,16,21,23H,11-12,14-15H2,1-2H3,(H,22,25)/t16-,21+/m1/s1
InChIKeyBAOXPTQYHRIXNW-IERDGZPVSA-N
XLogP3.97
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]amino]phenyl]acetamide with MolForge

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Related Compounds

N-(1-benzyl-3-methylpiperidin-4-yl)pyridin-2-amine
CID 130893109
benzyl 3-[(3R,4S)-3-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]piperidin-1-yl]-2-phenylpropanoate
CID 68963428
tert-butyl N-[3-[(1-benzylpiperidin-4-yl)amino]phenyl]carbamate
CID 68960155
N-(1-benzyl-3-methylpiperidin-4-yl)furan-2-carboxamide
CID 136512736
tert-butyl N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]carbamate
CID 69019941
N-[4-[2-[[(3R,4S)-1-benzyl-4-methylpyrrolidin-3-yl]amino]ethyl]phenyl]acetamide
CID 97055470
N-[(3S,4R)-1-benzyl-3-methylpiperidin-4-yl]-3-methoxypropanamide
CID 98773554
N-[4-[2-[[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]amino]ethyl]phenyl]acetamide
CID 97055469
N-[3-[[(3S,4R)-1-ethyl-3-methylpiperidin-4-yl]amino]-4-methylphenyl]acetamide
CID 99855727
N-[3-[[(3R,4S)-1-ethyl-3-methylpiperidin-4-yl]amino]-4-methylphenyl]acetamide
CID 129374009
[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamic acid
CID 137369868
N-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019946

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]amino]phenyl]acetamide (CID 68964157) is N-[3-[[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)c1.
What is the InChIKey of N-[3-[[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]amino]phenyl]acetamide?
The InChIKey is BAOXPTQYHRIXNW-IERDGZPVSA-N. The full InChI is InChI=1S/C21H27N3O/c1-16-14-24(15-18-7-4-3-5-8-18)12-11-21(16)23-20-10-6-9-19(13-20)22-17(2)25/h3-10,13,16,21,23H,11-12,14-15H2,1-2H3,(H,22,25)/t16-,21+/m1/s1.
What are the key properties of N-[3-[[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]amino]phenyl]acetamide?
N-[3-[[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]amino]phenyl]acetamide has a molecular weight of 337.47 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 68964157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).