N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-phenyltriazole-4-carboxamide

C23H27N7O — CID 91631721

IUPACN-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-phenyltriazole-4-carboxamide
SMILESCc1nc2c(c(N3CCC(NC(=O)c4cnn(-c5ccccc5)n4)CC3)n1)CCCC2
InChIInChI=1S/C23H27N7O/c1-16-25-20-10-6-5-9-19(20)22(26-16)29-13-11-17(12-14-29)27-23(31)21-15-24-30(28-21)18-7-3-2-4-8-18/h2-4,7-8,15,17H,5-6,9-14H2,1H3,(H,27,31)
InChIKeySKSMMYHRHXJACR-UHFFFAOYSA-N
MW417.52 g/mol
LogP2.64
Rot. Bonds4

About N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-phenyltriazole-4-carboxamide

N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-phenyltriazole-4-carboxamide (PubChem CID 91631721) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-phenyltriazole-4-carboxamide
PubChem CID91631721
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC NameN-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-phenyltriazole-4-carboxamide
SMILESCc1nc2c(c(N3CCC(NC(=O)c4cnn(-c5ccccc5)n4)CC3)n1)CCCC2
InChIInChI=1S/C23H27N7O/c1-16-25-20-10-6-5-9-19(20)22(26-16)29-13-11-17(12-14-29)27-23(31)21-15-24-30(28-21)18-7-3-2-4-8-18/h2-4,7-8,15,17H,5-6,9-14H2,1H3,(H,27,31)
InChIKeySKSMMYHRHXJACR-UHFFFAOYSA-N
XLogP2.64
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]urea
CID 133461617
5-chloro-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]thiophene-2-carboxamide
CID 91631760
2-phenyl-N-piperidin-4-yltriazole-4-carboxamide
CID 43345759
cis-(1S,3R)-3-[(2-phenyltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120674958
(E)-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-3-pyridin-3-ylprop-2-enamide
CID 117055199
N-(3,3-dimethylcyclopentyl)-2-phenyltriazole-4-carboxamide
CID 115880818
1-[(4-fluorophenyl)methyl]-3-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]urea
CID 91817882
N'-(cyclopropanecarbonyl)-2-phenyltriazole-4-carbohydrazide
CID 51175047
2-methyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 91817859
N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-phenyltriazole-4-carboxamide
CID 98783355
3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone
CID 171996071
tert-butyl N-[(3S)-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-yl]carbamate
CID 133472766

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-phenyltriazole-4-carboxamide (CID 91631721) is N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-phenyltriazole-4-carboxamide is Cc1nc2c(c(N3CCC(NC(=O)c4cnn(-c5ccccc5)n4)CC3)n1)CCCC2.
What is the InChIKey of N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-phenyltriazole-4-carboxamide?
The InChIKey is SKSMMYHRHXJACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-16-25-20-10-6-5-9-19(20)22(26-16)29-13-11-17(12-14-29)27-23(31)21-15-24-30(28-21)18-7-3-2-4-8-18/h2-4,7-8,15,17H,5-6,9-14H2,1H3,(H,27,31).
What are the key properties of N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-phenyltriazole-4-carboxamide?
N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-phenyltriazole-4-carboxamide has a molecular weight of 417.52 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 91631721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).