N,N-dimethyl-2-[4-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]piperazin-1-yl]acetamide

C17H25N7O — CID 94399883

IUPACN,N-dimethyl-2-[4-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]piperazin-1-yl]acetamide
SMILESC[C@H](c1nnnn1-c1ccccc1)N1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C17H25N7O/c1-14(17-18-19-20-24(17)15-7-5-4-6-8-15)23-11-9-22(10-12-23)13-16(25)21(2)3/h4-8,14H,9-13H2,1-3H3/t14-/m1/s1
InChIKeyGVSBWCPQWUWDOH-CQSZACIVSA-N
MW343.44 g/mol
LogP0.43
Rot. Bonds5

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

N,N-dimethyl-2-[4-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]piperazin-1-yl]acetamide (PubChem CID 94399883) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]piperazin-1-yl]acetamide
PubChem CID94399883
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC NameN,N-dimethyl-2-[4-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]piperazin-1-yl]acetamide
SMILESC[C@H](c1nnnn1-c1ccccc1)N1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C17H25N7O/c1-14(17-18-19-20-24(17)15-7-5-4-6-8-15)23-11-9-22(10-12-23)13-16(25)21(2)3/h4-8,14H,9-13H2,1-3H3/t14-/m1/s1
InChIKeyGVSBWCPQWUWDOH-CQSZACIVSA-N
XLogP0.43
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-2-[4-[1-(1-phenyltetrazol-5-yl)ethyl]piperazin-1-yl]acetamide
CID 51086676
2-(4-benzhydrylpiperazin-1-yl)-N,N-dimethylacetamide
CID 1439299
4-(2-methylpropoxy)-1-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine
CID 87022114
N,N-dimethyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide
CID 37206138
N-cyclohexyl-2-[4-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperazin-1-yl]-N-methylacetamide
CID 129401911
3,5-dimethyl-4-[4-[1-(1-phenyltetrazol-5-yl)ethyl]piperazin-1-yl]sulfonyl-1,2-oxazole
CID 60503033
2-[4-[1-(1-benzyl-5-chlorobenzimidazol-2-yl)ethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 46480250
1-[methyl-(1-phenyltetrazol-5-yl)amino]propan-2-ol
CID 62333734
(2R)-2-amino-N-[1-(1-phenyltetrazol-5-yl)ethyl]propanamide
CID 119328864
N,N-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 17398164
(4aS,7aS)-4-methyl-6-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 98851778
N,N-dimethyl-2-[4-[(1R)-1-(3-methylphenyl)ethyl]-1,4-diazepan-1-yl]acetamide
CID 95899527

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]piperazin-1-yl]acetamide (CID 94399883) is N,N-dimethyl-2-[4-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]piperazin-1-yl]acetamide is C[C@H](c1nnnn1-c1ccccc1)N1CCN(CC(=O)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]piperazin-1-yl]acetamide?
The InChIKey is GVSBWCPQWUWDOH-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N7O/c1-14(17-18-19-20-24(17)15-7-5-4-6-8-15)23-11-9-22(10-12-23)13-16(25)21(2)3/h4-8,14H,9-13H2,1-3H3/t14-/m1/s1.
What are the key properties of N,N-dimethyl-2-[4-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]piperazin-1-yl]acetamide?
N,N-dimethyl-2-[4-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]piperazin-1-yl]acetamide has a molecular weight of 343.44 g/mol, XLogP of 0.43, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 94399883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).