1-(4,7-dimethylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-4-carboxamide

C22H26N4OS — CID 42274559

IUPAC1-(4,7-dimethylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-4-carboxamide
SMILESCc1ccc2c(C)nc(N3CCC(C(=O)N[C@H](C)c4cccs4)CC3)nc2c1
InChIInChI=1S/C22H26N4OS/c1-14-6-7-18-15(2)24-22(25-19(18)13-14)26-10-8-17(9-11-26)21(27)23-16(3)20-5-4-12-28-20/h4-7,12-13,16-17H,8-11H2,1-3H3,(H,23,27)/t16-/m1/s1
InChIKeyAPXZFWUDHTYKRR-MRXNPFEDSA-N
MW394.54 g/mol
LogP4.40
Rot. Bonds4

About 1-(4,7-dimethylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-4-carboxamide

1-(4,7-dimethylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-4-carboxamide (PubChem CID 42274559) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is 1-(4,7-dimethylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,7-dimethylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-4-carboxamide
PubChem CID42274559
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC Name1-(4,7-dimethylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-4-carboxamide
SMILESCc1ccc2c(C)nc(N3CCC(C(=O)N[C@H](C)c4cccs4)CC3)nc2c1
InChIInChI=1S/C22H26N4OS/c1-14-6-7-18-15(2)24-22(25-19(18)13-14)26-10-8-17(9-11-26)21(27)23-16(3)20-5-4-12-28-20/h4-7,12-13,16-17H,8-11H2,1-3H3,(H,23,27)/t16-/m1/s1
InChIKeyAPXZFWUDHTYKRR-MRXNPFEDSA-N
XLogP4.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4,7-dimethylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide
CID 42190788
N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 63006092
1-(adamantane-1-carbonyl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 68596245
4-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide
CID 81408620
N-[(1S)-1-thiophen-2-ylethyl]oxane-4-carboxamide
CID 30971824
N-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxamide
CID 81407911
1-(4,7-dimethylquinazolin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide
CID 42246429
cis-(1S,3R)-3-(1-thiophen-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114091689
N-methyl-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 42322211
1-(4-methylpyrimidin-2-yl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 95082439
(3R)-1-(4,7-dimethylquinazolin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 42368186
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 28631738

Frequently Asked Questions

What is the IUPAC name of 1-(4,7-dimethylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4,7-dimethylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-4-carboxamide (CID 42274559) is 1-(4,7-dimethylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4,7-dimethylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4,7-dimethylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-4-carboxamide is Cc1ccc2c(C)nc(N3CCC(C(=O)N[C@H](C)c4cccs4)CC3)nc2c1.
What is the InChIKey of 1-(4,7-dimethylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-4-carboxamide?
The InChIKey is APXZFWUDHTYKRR-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26N4OS/c1-14-6-7-18-15(2)24-22(25-19(18)13-14)26-10-8-17(9-11-26)21(27)23-16(3)20-5-4-12-28-20/h4-7,12-13,16-17H,8-11H2,1-3H3,(H,23,27)/t16-/m1/s1.
What are the key properties of 1-(4,7-dimethylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-4-carboxamide?
1-(4,7-dimethylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-4-carboxamide has a molecular weight of 394.54 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,7-dimethylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 42274559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).