N-(4-amino-2-propan-2-ylquinolin-6-yl)-4-phenylpiperidine-1-carboxamide

C24H28N4O — CID 10237485

IUPACN-(4-amino-2-propan-2-ylquinolin-6-yl)-4-phenylpiperidine-1-carboxamide
SMILESCC(C)c1cc(N)c2cc(NC(=O)N3CCC(c4ccccc4)CC3)ccc2n1
InChIInChI=1S/C24H28N4O/c1-16(2)23-15-21(25)20-14-19(8-9-22(20)27-23)26-24(29)28-12-10-18(11-13-28)17-6-4-3-5-7-17/h3-9,14-16,18H,10-13H2,1-2H3,(H2,25,27)(H,26,29)
InChIKeyRPZFZJVHODTXLH-UHFFFAOYSA-N
MW388.52 g/mol
LogP5.35
Rot. Bonds3

About N-(4-amino-2-propan-2-ylquinolin-6-yl)-4-phenylpiperidine-1-carboxamide

N-(4-amino-2-propan-2-ylquinolin-6-yl)-4-phenylpiperidine-1-carboxamide (PubChem CID 10237485) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-(4-amino-2-propan-2-ylquinolin-6-yl)-4-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-propan-2-ylquinolin-6-yl)-4-phenylpiperidine-1-carboxamide
PubChem CID10237485
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-(4-amino-2-propan-2-ylquinolin-6-yl)-4-phenylpiperidine-1-carboxamide
SMILESCC(C)c1cc(N)c2cc(NC(=O)N3CCC(c4ccccc4)CC3)ccc2n1
InChIInChI=1S/C24H28N4O/c1-16(2)23-15-21(25)20-14-19(8-9-22(20)27-23)26-24(29)28-12-10-18(11-13-28)17-6-4-3-5-7-17/h3-9,14-16,18H,10-13H2,1-2H3,(H2,25,27)(H,26,29)
InChIKeyRPZFZJVHODTXLH-UHFFFAOYSA-N
XLogP5.35
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.52
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-N-[2-(pyrrolidin-1-ylmethyl)quinolin-6-yl]piperidine-1-carboxamide
CID 22340375
3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 5112154
N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide
CID 5065354
(3S)-N-(2-methyl-1,3-benzoxazol-5-yl)-3-phenylpyrrolidine-1-carboxamide
CID 124593890
N-(2,3-dithiophen-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide
CID 2925607
N-(2,3-dipyridin-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide
CID 5013877
4-[3-(aminomethyl)phenyl]-N-phenylpiperidine-1-carboxamide
CID 141045958
[4-(1-aminoethyl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
CID 119520643
1-(2-propan-2-ylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 154737644
2,2-dimethyl-4-[5-[4-[(4-phenylpiperidine-1-carbonyl)amino]phenyl]-1,3-thiazol-2-yl]pentanoic acid
CID 66615144
N-phenyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide
CID 59764610
(2R)-N-phenyl-2-(4-phenylpiperidin-1-yl)propanamide
CID 125483089

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-propan-2-ylquinolin-6-yl)-4-phenylpiperidine-1-carboxamide?
The IUPAC name of N-(4-amino-2-propan-2-ylquinolin-6-yl)-4-phenylpiperidine-1-carboxamide (CID 10237485) is N-(4-amino-2-propan-2-ylquinolin-6-yl)-4-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-amino-2-propan-2-ylquinolin-6-yl)-4-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-amino-2-propan-2-ylquinolin-6-yl)-4-phenylpiperidine-1-carboxamide is CC(C)c1cc(N)c2cc(NC(=O)N3CCC(c4ccccc4)CC3)ccc2n1.
What is the InChIKey of N-(4-amino-2-propan-2-ylquinolin-6-yl)-4-phenylpiperidine-1-carboxamide?
The InChIKey is RPZFZJVHODTXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-16(2)23-15-21(25)20-14-19(8-9-22(20)27-23)26-24(29)28-12-10-18(11-13-28)17-6-4-3-5-7-17/h3-9,14-16,18H,10-13H2,1-2H3,(H2,25,27)(H,26,29).
What are the key properties of N-(4-amino-2-propan-2-ylquinolin-6-yl)-4-phenylpiperidine-1-carboxamide?
N-(4-amino-2-propan-2-ylquinolin-6-yl)-4-phenylpiperidine-1-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 5.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-propan-2-ylquinolin-6-yl)-4-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 10237485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).