1-[1-[(4,5-dicyclopropyl-2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-4-(2H-tetrazol-5-yl)pyridin-2-one

C27H34N6O2 — CID 118038127

IUPAC1-[1-[(4,5-dicyclopropyl-2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-4-(2H-tetrazol-5-yl)pyridin-2-one
SMILESCC(C)Oc1cc(C2CC2)c(C2CC2)cc1CN1CCC(n2ccc(-c3nn[nH]n3)cc2=O)CC1
InChIInChI=1S/C27H34N6O2/c1-17(2)35-25-15-24(19-5-6-19)23(18-3-4-18)13-21(25)16-32-10-8-22(9-11-32)33-12-7-20(14-26(33)34)27-28-30-31-29-27/h7,12-15,17-19,22H,3-6,8-11,16H2,1-2H3,(H,28,29,30,31)
InChIKeyJTCDUJLXSOGBEY-UHFFFAOYSA-N
MW474.61 g/mol
LogP4.41
Rot. Bonds8

About 1-[1-[(4,5-dicyclopropyl-2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-4-(2H-tetrazol-5-yl)pyridin-2-one

1-[1-[(4,5-dicyclopropyl-2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-4-(2H-tetrazol-5-yl)pyridin-2-one (PubChem CID 118038127) has the molecular formula C27H34N6O2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 1-[1-[(4,5-dicyclopropyl-2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-4-(2H-tetrazol-5-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[1-[(4,5-dicyclopropyl-2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-4-(2H-tetrazol-5-yl)pyridin-2-one
PubChem CID118038127
Molecular FormulaC27H34N6O2
Molecular Weight474.61 g/mol
Exact Mass474.27
IUPAC Name1-[1-[(4,5-dicyclopropyl-2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-4-(2H-tetrazol-5-yl)pyridin-2-one
SMILESCC(C)Oc1cc(C2CC2)c(C2CC2)cc1CN1CCC(n2ccc(-c3nn[nH]n3)cc2=O)CC1
InChIInChI=1S/C27H34N6O2/c1-17(2)35-25-15-24(19-5-6-19)23(18-3-4-18)13-21(25)16-32-10-8-22(9-11-32)33-12-7-20(14-26(33)34)27-28-30-31-29-27/h7,12-15,17-19,22H,3-6,8-11,16H2,1-2H3,(H,28,29,30,31)
InChIKeyJTCDUJLXSOGBEY-UHFFFAOYSA-N
XLogP4.41
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(cyclopropanecarbonyl)-1-[1-[[5-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridin-2-one
CID 144836963
1-[1-[[5-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]-3-ethyl-2-oxopyridine-4-carboxylic acid
CID 118037888
1-[1-[[5-cyclopropyl-4-(4-fluorophenyl)-2-methoxyphenyl]methyl]piperidin-4-yl]-2-oxopyridine-4-carboxylic acid
CID 118037510
3-cyclopropyl-1-[1-[[5-cyclopropyl-4-(2,4-difluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]-2-oxopyridine-4-carboxylic acid
CID 118037584
2-propan-2-yloxy-5-(2H-tetrazol-5-yl)aniline
CID 131303852
4-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine
CID 3244608
1-[(4-methoxy-2-propan-2-yloxyphenyl)methyl]-4-(1,2,4-triazol-1-yl)piperidine
CID 75470816
4-[1-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136765574
4-(3,5-dimethylpyrazol-1-yl)-1-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine
CID 46980898
(2R)-2-hydroxy-2-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]acetamide
CID 129489722
N-propan-2-yl-1-[(4-propan-2-yloxy-3-pyridinyl)methyl]piperidin-4-amine
CID 67429738
4-cyclohexyloxy-1-[(5-nitro-2-propan-2-yloxyphenyl)methyl]piperidine
CID 86892358

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4,5-dicyclopropyl-2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-4-(2H-tetrazol-5-yl)pyridin-2-one?
The IUPAC name of 1-[1-[(4,5-dicyclopropyl-2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-4-(2H-tetrazol-5-yl)pyridin-2-one (CID 118038127) is 1-[1-[(4,5-dicyclopropyl-2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-4-(2H-tetrazol-5-yl)pyridin-2-one.
What is the SMILES notation for 1-[1-[(4,5-dicyclopropyl-2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-4-(2H-tetrazol-5-yl)pyridin-2-one?
The canonical SMILES for 1-[1-[(4,5-dicyclopropyl-2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-4-(2H-tetrazol-5-yl)pyridin-2-one is CC(C)Oc1cc(C2CC2)c(C2CC2)cc1CN1CCC(n2ccc(-c3nn[nH]n3)cc2=O)CC1.
What is the InChIKey of 1-[1-[(4,5-dicyclopropyl-2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-4-(2H-tetrazol-5-yl)pyridin-2-one?
The InChIKey is JTCDUJLXSOGBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O2/c1-17(2)35-25-15-24(19-5-6-19)23(18-3-4-18)13-21(25)16-32-10-8-22(9-11-32)33-12-7-20(14-26(33)34)27-28-30-31-29-27/h7,12-15,17-19,22H,3-6,8-11,16H2,1-2H3,(H,28,29,30,31).
What are the key properties of 1-[1-[(4,5-dicyclopropyl-2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-4-(2H-tetrazol-5-yl)pyridin-2-one?
1-[1-[(4,5-dicyclopropyl-2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-4-(2H-tetrazol-5-yl)pyridin-2-one has a molecular weight of 474.61 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4,5-dicyclopropyl-2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-4-(2H-tetrazol-5-yl)pyridin-2-one is sourced from PubChem (CID 118038127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).