N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide

C22H38N6O — CID 45241808

IUPACN-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)N(CCN1CCCCC1)CC1CCCN(C2CCCC2)C1
InChIInChI=1S/C22H38N6O/c29-22(17-28-19-23-18-24-28)27(14-13-25-10-4-1-5-11-25)16-20-7-6-12-26(15-20)21-8-2-3-9-21/h18-21H,1-17H2
InChIKeyWZTNUZUVRQWZDY-UHFFFAOYSA-N
MW402.59 g/mol
LogP2.25
Rot. Bonds8

About N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide

N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 45241808) has the molecular formula C22H38N6O and a molecular weight of 402.59 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID45241808
Molecular FormulaC22H38N6O
Molecular Weight402.59 g/mol
Exact Mass402.31
IUPAC NameN-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)N(CCN1CCCCC1)CC1CCCN(C2CCCC2)C1
InChIInChI=1S/C22H38N6O/c29-22(17-28-19-23-18-24-28)27(14-13-25-10-4-1-5-11-25)16-20-7-6-12-26(15-20)21-8-2-3-9-21/h18-21H,1-17H2
InChIKeyWZTNUZUVRQWZDY-UHFFFAOYSA-N
XLogP2.25
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.59
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide (CID 45241808) is N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)N(CCN1CCCCC1)CC1CCCN(C2CCCC2)C1.
What is the InChIKey of N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is WZTNUZUVRQWZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N6O/c29-22(17-28-19-23-18-24-28)27(14-13-25-10-4-1-5-11-25)16-20-7-6-12-26(15-20)21-8-2-3-9-21/h18-21H,1-17H2.
What are the key properties of N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide?
N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 402.59 g/mol, XLogP of 2.25, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 45241808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).