N-(methylcarbamoyl)-3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide

C16H22N8O2 — CID 55628304

IUPACN-(methylcarbamoyl)-3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide
SMILESCNC(=O)NC(=O)CCN1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C16H22N8O2/c1-17-15(26)18-14(25)7-8-22-9-11-23(12-10-22)16-19-20-21-24(16)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H2,17,18,25,26)
InChIKeyVCYRKLNKBQFITC-UHFFFAOYSA-N
MW358.41 g/mol
LogP-0.37
Rot. Bonds5

About N-(methylcarbamoyl)-3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide

N-(methylcarbamoyl)-3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide (PubChem CID 55628304) has the molecular formula C16H22N8O2 and a molecular weight of 358.41 g/mol. Its IUPAC name is N-(methylcarbamoyl)-3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide
PubChem CID55628304
Molecular FormulaC16H22N8O2
Molecular Weight358.41 g/mol
Exact Mass358.19
IUPAC NameN-(methylcarbamoyl)-3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide
SMILESCNC(=O)NC(=O)CCN1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C16H22N8O2/c1-17-15(26)18-14(25)7-8-22-9-11-23(12-10-22)16-19-20-21-24(16)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H2,17,18,25,26)
InChIKeyVCYRKLNKBQFITC-UHFFFAOYSA-N
XLogP-0.37
TPSA108.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-benzyl-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 26041068
2-[4-(1-phenyltetrazol-5-yl)-1,4-diazepan-1-yl]ethanol
CID 63309679
(2R)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-ol
CID 133499657
N-(4-tert-butylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 33451759
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 51119848
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanethioamide
CID 63337234
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 55601224
N-(4-methylsulfonylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 55601214
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanoic acid
CID 119924398
N-(methylcarbamoyl)-3-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide
CID 47532172
N-(3-fluorophenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 9338225
1-(4-methylsulfonylpiperazin-1-yl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone
CID 55601179

Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide?
The IUPAC name of N-(methylcarbamoyl)-3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide (CID 55628304) is N-(methylcarbamoyl)-3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(methylcarbamoyl)-3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(methylcarbamoyl)-3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide is CNC(=O)NC(=O)CCN1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of N-(methylcarbamoyl)-3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide?
The InChIKey is VCYRKLNKBQFITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N8O2/c1-17-15(26)18-14(25)7-8-22-9-11-23(12-10-22)16-19-20-21-24(16)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H2,17,18,25,26).
What are the key properties of N-(methylcarbamoyl)-3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide?
N-(methylcarbamoyl)-3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide has a molecular weight of 358.41 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 55628304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).