4-phenyl-N-[2-(pyrrolidin-1-ylmethyl)quinolin-6-yl]piperidine-1-carboxamide

C26H30N4O — CID 22340375

IUPAC4-phenyl-N-[2-(pyrrolidin-1-ylmethyl)quinolin-6-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc2nc(CN3CCCC3)ccc2c1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C26H30N4O/c31-26(30-16-12-21(13-17-30)20-6-2-1-3-7-20)28-23-10-11-25-22(18-23)8-9-24(27-25)19-29-14-4-5-15-29/h1-3,6-11,18,21H,4-5,12-17,19H2,(H,28,31)
InChIKeyFECBCFXZFNVJCF-UHFFFAOYSA-N
MW414.55 g/mol
LogP5.24
Rot. Bonds4

About 4-phenyl-N-[2-(pyrrolidin-1-ylmethyl)quinolin-6-yl]piperidine-1-carboxamide

4-phenyl-N-[2-(pyrrolidin-1-ylmethyl)quinolin-6-yl]piperidine-1-carboxamide (PubChem CID 22340375) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is 4-phenyl-N-[2-(pyrrolidin-1-ylmethyl)quinolin-6-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-[2-(pyrrolidin-1-ylmethyl)quinolin-6-yl]piperidine-1-carboxamide
PubChem CID22340375
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC Name4-phenyl-N-[2-(pyrrolidin-1-ylmethyl)quinolin-6-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc2nc(CN3CCCC3)ccc2c1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C26H30N4O/c31-26(30-16-12-21(13-17-30)20-6-2-1-3-7-20)28-23-10-11-25-22(18-23)8-9-24(27-25)19-29-14-4-5-15-29/h1-3,6-11,18,21H,4-5,12-17,19H2,(H,28,31)
InChIKeyFECBCFXZFNVJCF-UHFFFAOYSA-N
XLogP5.24
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 5112154
(3S)-N-(2-methyl-1,3-benzoxazol-5-yl)-3-phenylpyrrolidine-1-carboxamide
CID 124593890
N-(4-amino-2-propan-2-ylquinolin-6-yl)-4-phenylpiperidine-1-carboxamide
CID 10237485
N-(2,3-dithiophen-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide
CID 2925607
4-(4-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide
CID 22340293
N-(2,3-dipyridin-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide
CID 5013877
N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide
CID 5065354
N-(1-benzylpiperidin-4-yl)-N'-[2-(4-phenylpiperidin-1-yl)quinolin-6-yl]butanediamide
CID 73388766
4-[3-(aminomethyl)phenyl]-N-phenylpiperidine-1-carboxamide
CID 141045958
(3S)-3-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 95342259
ethyl 1-[[6-(4-phenylcyclohexyl)oxyquinolin-2-yl]methyl]piperidine-4-carboxylate;1-[[6-(4-phenylcyclohexyl)oxyquinolin-2-yl]methyl]piperidine-4-carboxylic acid
CID 160684392
N-[2-[[(3R)-3-(4-methylsulfanylbenzoyl)piperidin-1-yl]methyl]quinolin-6-yl]acetamide
CID 42198097

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[2-(pyrrolidin-1-ylmethyl)quinolin-6-yl]piperidine-1-carboxamide?
The IUPAC name of 4-phenyl-N-[2-(pyrrolidin-1-ylmethyl)quinolin-6-yl]piperidine-1-carboxamide (CID 22340375) is 4-phenyl-N-[2-(pyrrolidin-1-ylmethyl)quinolin-6-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-phenyl-N-[2-(pyrrolidin-1-ylmethyl)quinolin-6-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-phenyl-N-[2-(pyrrolidin-1-ylmethyl)quinolin-6-yl]piperidine-1-carboxamide is O=C(Nc1ccc2nc(CN3CCCC3)ccc2c1)N1CCC(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-N-[2-(pyrrolidin-1-ylmethyl)quinolin-6-yl]piperidine-1-carboxamide?
The InChIKey is FECBCFXZFNVJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O/c31-26(30-16-12-21(13-17-30)20-6-2-1-3-7-20)28-23-10-11-25-22(18-23)8-9-24(27-25)19-29-14-4-5-15-29/h1-3,6-11,18,21H,4-5,12-17,19H2,(H,28,31).
What are the key properties of 4-phenyl-N-[2-(pyrrolidin-1-ylmethyl)quinolin-6-yl]piperidine-1-carboxamide?
4-phenyl-N-[2-(pyrrolidin-1-ylmethyl)quinolin-6-yl]piperidine-1-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[2-(pyrrolidin-1-ylmethyl)quinolin-6-yl]piperidine-1-carboxamide is sourced from PubChem (CID 22340375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).