N-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-2-cyclopentylacetamide

C19H25N5O2 — CID 126777921

IUPACN-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)NC1CCN(C(=O)c2ccc3n[nH]nc3c2)CC1
InChIInChI=1S/C19H25N5O2/c25-18(11-13-3-1-2-4-13)20-15-7-9-24(10-8-15)19(26)14-5-6-16-17(12-14)22-23-21-16/h5-6,12-13,15H,1-4,7-11H2,(H,20,25)(H,21,22,23)
InChIKeyJSDWDNCVDRJIDT-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.26
Rot. Bonds4

About N-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-2-cyclopentylacetamide

N-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-2-cyclopentylacetamide (PubChem CID 126777921) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-2-cyclopentylacetamide
PubChem CID126777921
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)NC1CCN(C(=O)c2ccc3n[nH]nc3c2)CC1
InChIInChI=1S/C19H25N5O2/c25-18(11-13-3-1-2-4-13)20-15-7-9-24(10-8-15)19(26)14-5-6-16-17(12-14)22-23-21-16/h5-6,12-13,15H,1-4,7-11H2,(H,20,25)(H,21,22,23)
InChIKeyJSDWDNCVDRJIDT-UHFFFAOYSA-N
XLogP2.26
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-2-cyclopentylacetamide?
The IUPAC name of N-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-2-cyclopentylacetamide (CID 126777921) is N-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-2-cyclopentylacetamide.
What is the SMILES notation for N-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-2-cyclopentylacetamide?
The canonical SMILES for N-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-2-cyclopentylacetamide is O=C(CC1CCCC1)NC1CCN(C(=O)c2ccc3n[nH]nc3c2)CC1.
What is the InChIKey of N-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-2-cyclopentylacetamide?
The InChIKey is JSDWDNCVDRJIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c25-18(11-13-3-1-2-4-13)20-15-7-9-24(10-8-15)19(26)14-5-6-16-17(12-14)22-23-21-16/h5-6,12-13,15H,1-4,7-11H2,(H,20,25)(H,21,22,23).
What are the key properties of N-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-2-cyclopentylacetamide?
N-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-2-cyclopentylacetamide has a molecular weight of 355.44 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-2-cyclopentylacetamide is sourced from PubChem (CID 126777921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).