N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide

C21H31N7O — CID 125431354

IUPACN-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
SMILESO=C(CC1(Cn2cnnn2)CCCCC1)NC1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C21H31N7O/c29-20(13-21(8-2-1-3-9-21)16-28-17-23-25-26-28)24-19-6-11-27(12-7-19)15-18-5-4-10-22-14-18/h4-5,10,14,17,19H,1-3,6-9,11-13,15-16H2,(H,24,29)
InChIKeyZGZCPNLAXDOXFX-UHFFFAOYSA-N
MW397.53 g/mol
LogP2.19
Rot. Bonds7

About N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide

N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide (PubChem CID 125431354) has the molecular formula C21H31N7O and a molecular weight of 397.53 g/mol. Its IUPAC name is N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
PubChem CID125431354
Molecular FormulaC21H31N7O
Molecular Weight397.53 g/mol
Exact Mass397.26
IUPAC NameN-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
SMILESO=C(CC1(Cn2cnnn2)CCCCC1)NC1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C21H31N7O/c29-20(13-21(8-2-1-3-9-21)16-28-17-23-25-26-28)24-19-6-11-27(12-7-19)15-18-5-4-10-22-14-18/h4-5,10,14,17,19H,1-3,6-9,11-13,15-16H2,(H,24,29)
InChIKeyZGZCPNLAXDOXFX-UHFFFAOYSA-N
XLogP2.19
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide with MolForge

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Related Compounds

N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 125432539
N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-4-(tetrazol-1-yl)butanamide
CID 125442193
2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 91774888
N',N'-diethyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butanediamide
CID 154795042
(2R)-2-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide;hydrochloride
CID 120872926
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(tetrazol-1-yl)acetamide
CID 92572443
1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde
CID 42556102
N-(4-ethyl-4-methylcyclohexyl)-2-pyridin-3-ylacetamide
CID 130233519
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 121239339
9-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989928
N-(3-methylsulfanylphenyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 51048716

Frequently Asked Questions

What is the IUPAC name of N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The IUPAC name of N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide (CID 125431354) is N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide.
What is the SMILES notation for N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The canonical SMILES for N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide is O=C(CC1(Cn2cnnn2)CCCCC1)NC1CCN(Cc2cccnc2)CC1.
What is the InChIKey of N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The InChIKey is ZGZCPNLAXDOXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N7O/c29-20(13-21(8-2-1-3-9-21)16-28-17-23-25-26-28)24-19-6-11-27(12-7-19)15-18-5-4-10-22-14-18/h4-5,10,14,17,19H,1-3,6-9,11-13,15-16H2,(H,24,29).
What are the key properties of N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide has a molecular weight of 397.53 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide is sourced from PubChem (CID 125431354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).