N,N-diethyl-2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide

C15H29N7O — CID 55461584

IUPACN,N-diethyl-2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide
SMILESCCCn1nnnc1CN1CCN(CC(=O)N(CC)CC)CC1
InChIInChI=1S/C15H29N7O/c1-4-7-22-14(16-17-18-22)12-19-8-10-20(11-9-19)13-15(23)21(5-2)6-3/h4-13H2,1-3H3
InChIKeyDYEMESRBGFJSKI-UHFFFAOYSA-N
MW323.45 g/mol
LogP0.07
Rot. Bonds8

About N,N-diethyl-2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide

N,N-diethyl-2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 55461584) has the molecular formula C15H29N7O and a molecular weight of 323.45 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide
PubChem CID55461584
Molecular FormulaC15H29N7O
Molecular Weight323.45 g/mol
Exact Mass323.24
IUPAC NameN,N-diethyl-2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide
SMILESCCCn1nnnc1CN1CCN(CC(=O)N(CC)CC)CC1
InChIInChI=1S/C15H29N7O/c1-4-7-22-14(16-17-18-22)12-19-8-10-20(11-9-19)13-15(23)21(5-2)6-3/h4-13H2,1-3H3
InChIKeyDYEMESRBGFJSKI-UHFFFAOYSA-N
XLogP0.07
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.45
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide (CID 55461584) is N,N-diethyl-2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide is CCCn1nnnc1CN1CCN(CC(=O)N(CC)CC)CC1.
What is the InChIKey of N,N-diethyl-2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is DYEMESRBGFJSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N7O/c1-4-7-22-14(16-17-18-22)12-19-8-10-20(11-9-19)13-15(23)21(5-2)6-3/h4-13H2,1-3H3.
What are the key properties of N,N-diethyl-2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide?
N,N-diethyl-2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 323.45 g/mol, XLogP of 0.07, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55461584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).