1-[(3S)-1-[(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-3-carbonyl]piperidin-3-yl]propan-1-one

C24H32N4O3 — CID 42164315

IUPAC1-[(3S)-1-[(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-3-carbonyl]piperidin-3-yl]propan-1-one
SMILESCCC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN(c3nc(C)c4ccc(OC)cc4n3)C2)C1
InChIInChI=1S/C24H32N4O3/c1-4-22(29)17-7-5-11-27(14-17)23(30)18-8-6-12-28(15-18)24-25-16(2)20-10-9-19(31-3)13-21(20)26-24/h9-10,13,17-18H,4-8,11-12,14-15H2,1-3H3/t17-,18-/m0/s1
InChIKeyJBSSENMDPJELDD-ROUUACIJSA-N
MW424.55 g/mol
LogP3.38
Rot. Bonds5

About 1-[(3S)-1-[(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-3-carbonyl]piperidin-3-yl]propan-1-one

1-[(3S)-1-[(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-3-carbonyl]piperidin-3-yl]propan-1-one (PubChem CID 42164315) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 1-[(3S)-1-[(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-3-carbonyl]piperidin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3S)-1-[(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-3-carbonyl]piperidin-3-yl]propan-1-one
PubChem CID42164315
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name1-[(3S)-1-[(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-3-carbonyl]piperidin-3-yl]propan-1-one
SMILESCCC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN(c3nc(C)c4ccc(OC)cc4n3)C2)C1
InChIInChI=1S/C24H32N4O3/c1-4-22(29)17-7-5-11-27(14-17)23(30)18-8-6-12-28(15-18)24-25-16(2)20-10-9-19(31-3)13-21(20)26-24/h9-10,13,17-18H,4-8,11-12,14-15H2,1-3H3/t17-,18-/m0/s1
InChIKeyJBSSENMDPJELDD-ROUUACIJSA-N
XLogP3.38
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(3S)-1-[(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-3-carbonyl]piperidin-3-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-3-yl]methanone
CID 45185896
(3R)-N-(2-methoxyethyl)-1-(7-methoxy-4-methylquinazolin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 26278572
(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide
CID 42190788
N-ethyl-1-(7-methoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 45174732
(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-3-carboxamide
CID 42275679
1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid
CID 118759012
ethyl 1-[1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carbonyl]piperidine-3-carboxylate
CID 121128642
[(3S)-1-(4,7-dimethylquinazolin-2-yl)piperidin-3-yl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42438154
(3S)-N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide
CID 42369759
1-(7-methoxy-4-methylquinolin-2-yl)piperidine-3-carboxamide
CID 172900595
1-(4,7-dimethylquinazolin-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 45172556
(3R)-1-(4,7-dimethylquinazolin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 42368186

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-[(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-3-carbonyl]piperidin-3-yl]propan-1-one?
The IUPAC name of 1-[(3S)-1-[(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-3-carbonyl]piperidin-3-yl]propan-1-one (CID 42164315) is 1-[(3S)-1-[(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-3-carbonyl]piperidin-3-yl]propan-1-one.
What is the SMILES notation for 1-[(3S)-1-[(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-3-carbonyl]piperidin-3-yl]propan-1-one?
The canonical SMILES for 1-[(3S)-1-[(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-3-carbonyl]piperidin-3-yl]propan-1-one is CCC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN(c3nc(C)c4ccc(OC)cc4n3)C2)C1.
What is the InChIKey of 1-[(3S)-1-[(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-3-carbonyl]piperidin-3-yl]propan-1-one?
The InChIKey is JBSSENMDPJELDD-ROUUACIJSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-4-22(29)17-7-5-11-27(14-17)23(30)18-8-6-12-28(15-18)24-25-16(2)20-10-9-19(31-3)13-21(20)26-24/h9-10,13,17-18H,4-8,11-12,14-15H2,1-3H3/t17-,18-/m0/s1.
What are the key properties of 1-[(3S)-1-[(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-3-carbonyl]piperidin-3-yl]propan-1-one?
1-[(3S)-1-[(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-3-carbonyl]piperidin-3-yl]propan-1-one has a molecular weight of 424.55 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-[(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-3-carbonyl]piperidin-3-yl]propan-1-one is sourced from PubChem (CID 42164315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).