N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide

C21H29N7O2 — CID 86944767

IUPACN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NCCN1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C21H29N7O2/c29-19(16-28-24-20(23-25-28)17-6-2-1-3-7-17)22-10-11-26-12-14-27(15-13-26)21(30)18-8-4-5-9-18/h1-3,6-7,18H,4-5,8-16H2,(H,22,29)
InChIKeyOTVOOYCWWPLIDW-UHFFFAOYSA-N
MW411.51 g/mol
LogP0.79
Rot. Bonds7

About N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide

N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 86944767) has the molecular formula C21H29N7O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID86944767
Molecular FormulaC21H29N7O2
Molecular Weight411.51 g/mol
Exact Mass411.24
IUPAC NameN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NCCN1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C21H29N7O2/c29-19(16-28-24-20(23-25-28)17-6-2-1-3-7-17)22-10-11-26-12-14-27(15-13-26)21(30)18-8-4-5-9-18/h1-3,6-7,18H,4-5,8-16H2,(H,22,29)
InChIKeyOTVOOYCWWPLIDW-UHFFFAOYSA-N
XLogP0.79
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,3-diphenylpropyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7277981
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 86945002
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 86944864
[(2S)-oxolan-2-yl]-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]methanone
CID 52525383
N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 3188669
2-(5-phenyltetrazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
CID 51113096
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 56816775
2-(5-phenyltetrazol-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119463131
N-(3-aminobutyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 119498184
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 86944846
N-(dicyclopropylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 29466684
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 78834489

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide (CID 86944767) is N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2ccccc2)n1)NCCN1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is OTVOOYCWWPLIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O2/c29-19(16-28-24-20(23-25-28)17-6-2-1-3-7-17)22-10-11-26-12-14-27(15-13-26)21(30)18-8-4-5-9-18/h1-3,6-7,18H,4-5,8-16H2,(H,22,29).
What are the key properties of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 411.51 g/mol, XLogP of 0.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 86944767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).