N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide

C23H34N6O2 — CID 125432539

IUPACN-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
SMILESCOc1ccc(CN2CCC(NC(=O)CC3(Cn4cnnn4)CCCCC3)CC2)cc1
InChIInChI=1S/C23H34N6O2/c1-31-21-7-5-19(6-8-21)16-28-13-9-20(10-14-28)25-22(30)15-23(11-3-2-4-12-23)17-29-18-24-26-27-29/h5-8,18,20H,2-4,9-17H2,1H3,(H,25,30)
InChIKeyJGJDZMVDILOSDX-UHFFFAOYSA-N
MW426.57 g/mol
LogP2.80
Rot. Bonds8

About N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide

N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide (PubChem CID 125432539) has the molecular formula C23H34N6O2 and a molecular weight of 426.57 g/mol. Its IUPAC name is N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
PubChem CID125432539
Molecular FormulaC23H34N6O2
Molecular Weight426.57 g/mol
Exact Mass426.27
IUPAC NameN-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
SMILESCOc1ccc(CN2CCC(NC(=O)CC3(Cn4cnnn4)CCCCC3)CC2)cc1
InChIInChI=1S/C23H34N6O2/c1-31-21-7-5-19(6-8-21)16-28-13-9-20(10-14-28)25-22(30)15-23(11-3-2-4-12-23)17-29-18-24-26-27-29/h5-8,18,20H,2-4,9-17H2,1H3,(H,25,30)
InChIKeyJGJDZMVDILOSDX-UHFFFAOYSA-N
XLogP2.80
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide with MolForge

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Related Compounds

N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 125431354
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 128962947
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 121239339
N-(1-ethylpiperidin-4-yl)-3-(4-methoxyphenyl)propanamide
CID 17250230
tert-butyl N-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 53256445
N-[1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]piperidin-4-yl]propanamide
CID 92585557
methyl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980671
2-(2-hydroxyphenyl)-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]acetamide
CID 92595353
N-(3-methylsulfanylphenyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 51048716
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 24791479
N-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155873799

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The IUPAC name of N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide (CID 125432539) is N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide.
What is the SMILES notation for N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The canonical SMILES for N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide is COc1ccc(CN2CCC(NC(=O)CC3(Cn4cnnn4)CCCCC3)CC2)cc1.
What is the InChIKey of N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The InChIKey is JGJDZMVDILOSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O2/c1-31-21-7-5-19(6-8-21)16-28-13-9-20(10-14-28)25-22(30)15-23(11-3-2-4-12-23)17-29-18-24-26-27-29/h5-8,18,20H,2-4,9-17H2,1H3,(H,25,30).
What are the key properties of N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide has a molecular weight of 426.57 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide is sourced from PubChem (CID 125432539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).