N-cyclohexyl-5-(1-cyclohexyltetrazol-5-yl)-N-(piperidin-4-ylmethyl)pentanamide

C24H42N6O — CID 21295315

IUPACN-cyclohexyl-5-(1-cyclohexyltetrazol-5-yl)-N-(piperidin-4-ylmethyl)pentanamide
SMILESO=C(CCCCc1nnnn1C1CCCCC1)N(CC1CCNCC1)C1CCCCC1
InChIInChI=1S/C24H42N6O/c31-24(29(21-9-3-1-4-10-21)19-20-15-17-25-18-16-20)14-8-7-13-23-26-27-28-30(23)22-11-5-2-6-12-22/h20-22,25H,1-19H2
InChIKeyWYHKXAWOVLCJIJ-UHFFFAOYSA-N
MW430.64 g/mol
LogP4.05
Rot. Bonds9

About N-cyclohexyl-5-(1-cyclohexyltetrazol-5-yl)-N-(piperidin-4-ylmethyl)pentanamide

N-cyclohexyl-5-(1-cyclohexyltetrazol-5-yl)-N-(piperidin-4-ylmethyl)pentanamide (PubChem CID 21295315) has the molecular formula C24H42N6O and a molecular weight of 430.64 g/mol. Its IUPAC name is N-cyclohexyl-5-(1-cyclohexyltetrazol-5-yl)-N-(piperidin-4-ylmethyl)pentanamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(1-cyclohexyltetrazol-5-yl)-N-(piperidin-4-ylmethyl)pentanamide
PubChem CID21295315
Molecular FormulaC24H42N6O
Molecular Weight430.64 g/mol
Exact Mass430.34
IUPAC NameN-cyclohexyl-5-(1-cyclohexyltetrazol-5-yl)-N-(piperidin-4-ylmethyl)pentanamide
SMILESO=C(CCCCc1nnnn1C1CCCCC1)N(CC1CCNCC1)C1CCCCC1
InChIInChI=1S/C24H42N6O/c31-24(29(21-9-3-1-4-10-21)19-20-15-17-25-18-16-20)14-8-7-13-23-26-27-28-30(23)22-11-5-2-6-12-22/h20-22,25H,1-19H2
InChIKeyWYHKXAWOVLCJIJ-UHFFFAOYSA-N
XLogP4.05
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.64
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(1-cyclohexyltetrazol-5-yl)-N-(piperidin-4-ylmethyl)pentanamide?
The IUPAC name of N-cyclohexyl-5-(1-cyclohexyltetrazol-5-yl)-N-(piperidin-4-ylmethyl)pentanamide (CID 21295315) is N-cyclohexyl-5-(1-cyclohexyltetrazol-5-yl)-N-(piperidin-4-ylmethyl)pentanamide.
What is the SMILES notation for N-cyclohexyl-5-(1-cyclohexyltetrazol-5-yl)-N-(piperidin-4-ylmethyl)pentanamide?
The canonical SMILES for N-cyclohexyl-5-(1-cyclohexyltetrazol-5-yl)-N-(piperidin-4-ylmethyl)pentanamide is O=C(CCCCc1nnnn1C1CCCCC1)N(CC1CCNCC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-5-(1-cyclohexyltetrazol-5-yl)-N-(piperidin-4-ylmethyl)pentanamide?
The InChIKey is WYHKXAWOVLCJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N6O/c31-24(29(21-9-3-1-4-10-21)19-20-15-17-25-18-16-20)14-8-7-13-23-26-27-28-30(23)22-11-5-2-6-12-22/h20-22,25H,1-19H2.
What are the key properties of N-cyclohexyl-5-(1-cyclohexyltetrazol-5-yl)-N-(piperidin-4-ylmethyl)pentanamide?
N-cyclohexyl-5-(1-cyclohexyltetrazol-5-yl)-N-(piperidin-4-ylmethyl)pentanamide has a molecular weight of 430.64 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(1-cyclohexyltetrazol-5-yl)-N-(piperidin-4-ylmethyl)pentanamide is sourced from PubChem (CID 21295315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).