N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide

C19H32N6O — CID 1445100

IUPACN-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide
SMILESO=C(NC1CCN(Cc2nnnn2C2CCCC2)CC1)C1CCCCC1
InChIInChI=1S/C19H32N6O/c26-19(15-6-2-1-3-7-15)20-16-10-12-24(13-11-16)14-18-21-22-23-25(18)17-8-4-5-9-17/h15-17H,1-14H2,(H,20,26)
InChIKeyGIMILYXMQCEFBP-UHFFFAOYSA-N
MW360.51 g/mol
LogP2.45
Rot. Bonds5

About N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide

N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide (PubChem CID 1445100) has the molecular formula C19H32N6O and a molecular weight of 360.51 g/mol. Its IUPAC name is N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide
PubChem CID1445100
Molecular FormulaC19H32N6O
Molecular Weight360.51 g/mol
Exact Mass360.26
IUPAC NameN-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide
SMILESO=C(NC1CCN(Cc2nnnn2C2CCCC2)CC1)C1CCCCC1
InChIInChI=1S/C19H32N6O/c26-19(15-6-2-1-3-7-15)20-16-10-12-24(13-11-16)14-18-21-22-23-25(18)17-8-4-5-9-17/h15-17H,1-14H2,(H,20,26)
InChIKeyGIMILYXMQCEFBP-UHFFFAOYSA-N
XLogP2.45
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide (CID 1445100) is N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide is O=C(NC1CCN(Cc2nnnn2C2CCCC2)CC1)C1CCCCC1.
What is the InChIKey of N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide?
The InChIKey is GIMILYXMQCEFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O/c26-19(15-6-2-1-3-7-15)20-16-10-12-24(13-11-16)14-18-21-22-23-25(18)17-8-4-5-9-17/h15-17H,1-14H2,(H,20,26).
What are the key properties of N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide?
N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide has a molecular weight of 360.51 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 1445100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).