2-(3-chloro-4-methoxyphenyl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide

C22H27ClN4O2 — CID 91631704

IUPAC2-(3-chloro-4-methoxyphenyl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide
SMILESCOc1ccc(CC(=O)NC2CCN(c3ncnc4c3CCCC4)CC2)cc1Cl
InChIInChI=1S/C22H27ClN4O2/c1-29-20-7-6-15(12-18(20)23)13-21(28)26-16-8-10-27(11-9-16)22-17-4-2-3-5-19(17)24-14-25-22/h6-7,12,14,16H,2-5,8-11,13H2,1H3,(H,26,28)
InChIKeyKBSUPMWISHWLEE-UHFFFAOYSA-N
MW414.94 g/mol
LogP3.35
Rot. Bonds5

About 2-(3-chloro-4-methoxyphenyl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide

2-(3-chloro-4-methoxyphenyl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide (PubChem CID 91631704) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide
PubChem CID91631704
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC Name2-(3-chloro-4-methoxyphenyl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide
SMILESCOc1ccc(CC(=O)NC2CCN(c3ncnc4c3CCCC4)CC2)cc1Cl
InChIInChI=1S/C22H27ClN4O2/c1-29-20-7-6-15(12-18(20)23)13-21(28)26-16-8-10-27(11-9-16)22-17-4-2-3-5-19(17)24-14-25-22/h6-7,12,14,16H,2-5,8-11,13H2,1H3,(H,26,28)
InChIKeyKBSUPMWISHWLEE-UHFFFAOYSA-N
XLogP3.35
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 91631718
methyl 4-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]benzoate
CID 91631663
2-(1,2-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide
CID 91817855
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide
CID 91631669
6-methoxy-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126888268
3-(3-chloro-4-methoxyphenyl)-N-(1-phenylpiperidin-4-yl)propanamide
CID 60566295
5-(dithiolan-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pentanamide
CID 121019495
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
2-(3,4-dichlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 52719023
4-phenyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxane-4-carboxamide
CID 91631673
tert-butyl (3R)-3-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate
CID 129416926
2-methyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 91817859

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide (CID 91631704) is 2-(3-chloro-4-methoxyphenyl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide is COc1ccc(CC(=O)NC2CCN(c3ncnc4c3CCCC4)CC2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide?
The InChIKey is KBSUPMWISHWLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O2/c1-29-20-7-6-15(12-18(20)23)13-21(28)26-16-8-10-27(11-9-16)22-17-4-2-3-5-19(17)24-14-25-22/h6-7,12,14,16H,2-5,8-11,13H2,1H3,(H,26,28).
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide?
2-(3-chloro-4-methoxyphenyl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide has a molecular weight of 414.94 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 91631704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).