2-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide

C16H31N7O — CID 55462460

IUPAC2-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide
SMILESCCCCn1nnnc1CN1CCN(CC(=O)N(CC)CC)CC1
InChIInChI=1S/C16H31N7O/c1-4-7-8-23-15(17-18-19-23)13-20-9-11-21(12-10-20)14-16(24)22(5-2)6-3/h4-14H2,1-3H3
InChIKeyQEPVHEPHMKCSMD-UHFFFAOYSA-N
MW337.47 g/mol
LogP0.46
Rot. Bonds9

About 2-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide

2-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide (PubChem CID 55462460) has the molecular formula C16H31N7O and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide
PubChem CID55462460
Molecular FormulaC16H31N7O
Molecular Weight337.47 g/mol
Exact Mass337.26
IUPAC Name2-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide
SMILESCCCCn1nnnc1CN1CCN(CC(=O)N(CC)CC)CC1
InChIInChI=1S/C16H31N7O/c1-4-7-8-23-15(17-18-19-23)13-20-9-11-21(12-10-20)14-16(24)22(5-2)6-3/h4-14H2,1-3H3
InChIKeyQEPVHEPHMKCSMD-UHFFFAOYSA-N
XLogP0.46
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(1-butyltetrazol-5-yl)methyl]piperidine-4-carbaldehyde
CID 62655758
N-propan-2-yl-2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 86908514
2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide
CID 14434735
1-[(1-butyltetrazol-5-yl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 55167123
(2R,6S)-4-[(1-butyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine
CID 94015004
1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137503
1-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 55174124
1-[(1-butyltetrazol-5-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351710
N-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrazol-1-ylethyl)butanamide
CID 29258468
1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidin-4-amine
CID 79867375
1-methylsulfonyl-4-[(1-propyltetrazol-5-yl)methyl]piperazine
CID 27128878
2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 28955313

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide (CID 55462460) is 2-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide is CCCCn1nnnc1CN1CCN(CC(=O)N(CC)CC)CC1.
What is the InChIKey of 2-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide?
The InChIKey is QEPVHEPHMKCSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N7O/c1-4-7-8-23-15(17-18-19-23)13-20-9-11-21(12-10-20)14-16(24)22(5-2)6-3/h4-14H2,1-3H3.
What are the key properties of 2-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide?
2-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide has a molecular weight of 337.47 g/mol, XLogP of 0.46, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 55462460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).