4-[(1R,2R)-2-hydroxycyclohexyl]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide

C19H27N7O2 — CID 133129447

IUPAC4-[(1R,2R)-2-hydroxycyclohexyl]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
SMILESCc1ccc(-n2cnnn2)cc1NC(=O)N1CCN([C@@H]2CCCC[C@H]2O)CC1
InChIInChI=1S/C19H27N7O2/c1-14-6-7-15(26-13-20-22-23-26)12-16(14)21-19(28)25-10-8-24(9-11-25)17-4-2-3-5-18(17)27/h6-7,12-13,17-18,27H,2-5,8-11H2,1H3,(H,21,28)/t17-,18-/m1/s1
InChIKeyCCWFXPHIKBFKDP-QZTJIDSGSA-N
MW385.47 g/mol
LogP1.42
Rot. Bonds3

About 4-[(1R,2R)-2-hydroxycyclohexyl]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide

4-[(1R,2R)-2-hydroxycyclohexyl]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide (PubChem CID 133129447) has the molecular formula C19H27N7O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-[(1R,2R)-2-hydroxycyclohexyl]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(1R,2R)-2-hydroxycyclohexyl]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
PubChem CID133129447
Molecular FormulaC19H27N7O2
Molecular Weight385.47 g/mol
Exact Mass385.22
IUPAC Name4-[(1R,2R)-2-hydroxycyclohexyl]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
SMILESCc1ccc(-n2cnnn2)cc1NC(=O)N1CCN([C@@H]2CCCC[C@H]2O)CC1
InChIInChI=1S/C19H27N7O2/c1-14-6-7-15(26-13-20-22-23-26)12-16(14)21-19(28)25-10-8-24(9-11-25)17-4-2-3-5-18(17)27/h6-7,12-13,17-18,27H,2-5,8-11H2,1H3,(H,21,28)/t17-,18-/m1/s1
InChIKeyCCWFXPHIKBFKDP-QZTJIDSGSA-N
XLogP1.42
TPSA99.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 47047444
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CID 47039545
2-[[2-methyl-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60940554
N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzamide
CID 60789520
N-(4-chloro-2-methylphenyl)-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carboxamide
CID 95299451
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4-N-tert-butyl-1-N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzene-1,4-dicarboxamide
CID 48857945
(1R)-2,2-dichloro-1-methyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide
CID 94001278
3-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentane-1,3-diamine
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2-(tert-butylamino)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
CID 78923820
5-hydroxy-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentanamide
CID 79198857
2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5-(tetrazol-1-yl)aniline
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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2R)-2-hydroxycyclohexyl]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(1R,2R)-2-hydroxycyclohexyl]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide (CID 133129447) is 4-[(1R,2R)-2-hydroxycyclohexyl]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(1R,2R)-2-hydroxycyclohexyl]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(1R,2R)-2-hydroxycyclohexyl]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide is Cc1ccc(-n2cnnn2)cc1NC(=O)N1CCN([C@@H]2CCCC[C@H]2O)CC1.
What is the InChIKey of 4-[(1R,2R)-2-hydroxycyclohexyl]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide?
The InChIKey is CCWFXPHIKBFKDP-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H27N7O2/c1-14-6-7-15(26-13-20-22-23-26)12-16(14)21-19(28)25-10-8-24(9-11-25)17-4-2-3-5-18(17)27/h6-7,12-13,17-18,27H,2-5,8-11H2,1H3,(H,21,28)/t17-,18-/m1/s1.
What are the key properties of 4-[(1R,2R)-2-hydroxycyclohexyl]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide?
4-[(1R,2R)-2-hydroxycyclohexyl]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2R)-2-hydroxycyclohexyl]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 133129447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).