N-[(3R)-1-[1-[3-(3-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide

C24H31N3O — CID 30897505

IUPACN-[(3R)-1-[1-[3-(3-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(C2CCN(c3cccc(-c4cccc(C)c4)c3)CC2)C1
InChIInChI=1S/C24H31N3O/c1-18-5-3-6-20(15-18)21-7-4-8-24(16-21)26-13-10-23(11-14-26)27-12-9-22(17-27)25-19(2)28/h3-8,15-16,22-23H,9-14,17H2,1-2H3,(H,25,28)/t22-/m1/s1
InChIKeyGHRJFFFEHWOOFU-JOCHJYFZSA-N
MW377.53 g/mol
LogP3.84
Rot. Bonds4

About N-[(3R)-1-[1-[3-(3-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide

N-[(3R)-1-[1-[3-(3-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide (PubChem CID 30897505) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is N-[(3R)-1-[1-[3-(3-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[1-[3-(3-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide
PubChem CID30897505
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC NameN-[(3R)-1-[1-[3-(3-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(C2CCN(c3cccc(-c4cccc(C)c4)c3)CC2)C1
InChIInChI=1S/C24H31N3O/c1-18-5-3-6-20(15-18)21-7-4-8-24(16-21)26-13-10-23(11-14-26)27-12-9-22(17-27)25-19(2)28/h3-8,15-16,22-23H,9-14,17H2,1-2H3,(H,25,28)/t22-/m1/s1
InChIKeyGHRJFFFEHWOOFU-JOCHJYFZSA-N
XLogP3.84
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropylpyrrolidin-3-yl)-3-methylbenzamide
CID 47938718
3-tert-butyl-N-[2-[[(3R)-1-[1-(3-methylphenyl)piperidin-4-yl]pyrrolidin-3-yl]amino]-2-oxoethyl]benzamide
CID 67004653
N-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]acetamide
CID 102814279
N-(1-phenylpiperidin-4-yl)acetamide;hydrochloride
CID 155657873
1-[1-[3-(3-methoxyphenyl)phenyl]piperidin-4-yl]-N-methylpiperidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 154887732
tert-butyl N-[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]carbamate;sulfur dioxide
CID 165075706
N-[1-(3-methylphenyl)piperidin-4-yl]azetidine-2-carboxamide
CID 131916614
N-[(3S)-1-(6-methyl-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 95127459
1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368
3-methyl-N-(1-phenylpiperidin-4-yl)benzamide
CID 110735842
5-acetyl-N-[1-(3-methylphenyl)piperidin-4-yl]thiophene-3-carboxamide
CID 118772808
N-[(3S,4R)-1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
CID 70776056

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[1-[3-(3-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[1-[3-(3-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide (CID 30897505) is N-[(3R)-1-[1-[3-(3-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[1-[3-(3-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[1-[3-(3-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CCN(C2CCN(c3cccc(-c4cccc(C)c4)c3)CC2)C1.
What is the InChIKey of N-[(3R)-1-[1-[3-(3-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide?
The InChIKey is GHRJFFFEHWOOFU-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H31N3O/c1-18-5-3-6-20(15-18)21-7-4-8-24(16-21)26-13-10-23(11-14-26)27-12-9-22(17-27)25-19(2)28/h3-8,15-16,22-23H,9-14,17H2,1-2H3,(H,25,28)/t22-/m1/s1.
What are the key properties of N-[(3R)-1-[1-[3-(3-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide?
N-[(3R)-1-[1-[3-(3-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide has a molecular weight of 377.53 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[1-[3-(3-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 30897505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).