N-(cyclopropylmethyl)-1-(4,7-dimethylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide

C25H34N4O2 — CID 45179708

IUPACN-(cyclopropylmethyl)-1-(4,7-dimethylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1ccc2c(C)nc(N3CCCC(C(=O)N(CC4CC4)CC4CCCO4)C3)nc2c1
InChIInChI=1S/C25H34N4O2/c1-17-7-10-22-18(2)26-25(27-23(22)13-17)28-11-3-5-20(15-28)24(30)29(14-19-8-9-19)16-21-6-4-12-31-21/h7,10,13,19-21H,3-6,8-9,11-12,14-16H2,1-2H3
InChIKeySLPUODFLPUMGEM-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.88
Rot. Bonds6

About N-(cyclopropylmethyl)-1-(4,7-dimethylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide

N-(cyclopropylmethyl)-1-(4,7-dimethylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 45179708) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(4,7-dimethylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(4,7-dimethylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
PubChem CID45179708
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC NameN-(cyclopropylmethyl)-1-(4,7-dimethylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1ccc2c(C)nc(N3CCCC(C(=O)N(CC4CC4)CC4CCCO4)C3)nc2c1
InChIInChI=1S/C25H34N4O2/c1-17-7-10-22-18(2)26-25(27-23(22)13-17)28-11-3-5-20(15-28)24(30)29(14-19-8-9-19)16-21-6-4-12-31-21/h7,10,13,19-21H,3-6,8-9,11-12,14-16H2,1-2H3
InChIKeySLPUODFLPUMGEM-UHFFFAOYSA-N
XLogP3.88
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(7-methoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 45174732
1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)-N-propylpiperidine-3-carboxamide
CID 45216484
(3S)-N-(cyclopropylmethyl)-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-propylpiperidine-3-carboxamide
CID 42211653
1-(4,7-dimethylquinazolin-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 45172556
[(3S)-1-(4,7-dimethylquinazolin-2-yl)piperidin-3-yl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42438154
3-[(2,7-dimethylquinoline-3-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124699136
1-[(3S)-1-[(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-3-carbonyl]piperidin-3-yl]propan-1-one
CID 42164315
N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide
CID 3216808
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 92614370
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 45184040
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 26280928
1-(4,6-dimethylpyrimidin-2-yl)-N,N-dimethylpiperidine-3-carboxamide
CID 47473849

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(4,7-dimethylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-(4,7-dimethylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide (CID 45179708) is N-(cyclopropylmethyl)-1-(4,7-dimethylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(4,7-dimethylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-(4,7-dimethylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide is Cc1ccc2c(C)nc(N3CCCC(C(=O)N(CC4CC4)CC4CCCO4)C3)nc2c1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(4,7-dimethylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is SLPUODFLPUMGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-17-7-10-22-18(2)26-25(27-23(22)13-17)28-11-3-5-20(15-28)24(30)29(14-19-8-9-19)16-21-6-4-12-31-21/h7,10,13,19-21H,3-6,8-9,11-12,14-16H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-1-(4,7-dimethylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide?
N-(cyclopropylmethyl)-1-(4,7-dimethylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(4,7-dimethylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 45179708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).