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

C14H27N7O — CID 86908514

IUPACN-propan-2-yl-2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide
SMILESCCCn1nnnc1CN1CCN(CC(=O)NC(C)C)CC1
InChIInChI=1S/C14H27N7O/c1-4-5-21-13(16-17-18-21)10-19-6-8-20(9-7-19)11-14(22)15-12(2)3/h12H,4-11H2,1-3H3,(H,15,22)
InChIKeyZSRGDEXOQQHMQR-UHFFFAOYSA-N
MW309.42 g/mol
LogP-0.27
Rot. Bonds7

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

N-propan-2-yl-2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 86908514) has the molecular formula C14H27N7O and a molecular weight of 309.42 g/mol. Its IUPAC name is N-propan-2-yl-2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide
PubChem CID86908514
Molecular FormulaC14H27N7O
Molecular Weight309.42 g/mol
Exact Mass309.23
IUPAC NameN-propan-2-yl-2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide
SMILESCCCn1nnnc1CN1CCN(CC(=O)NC(C)C)CC1
InChIInChI=1S/C14H27N7O/c1-4-5-21-13(16-17-18-21)10-19-6-8-20(9-7-19)11-14(22)15-12(2)3/h12H,4-11H2,1-3H3,(H,15,22)
InChIKeyZSRGDEXOQQHMQR-UHFFFAOYSA-N
XLogP-0.27
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2R)-2-hydroxypropyl]-1-[(1-propyltetrazol-5-yl)methyl]piperidine-4-carboxamide
CID 94028435
1-methylsulfonyl-4-[(1-propyltetrazol-5-yl)methyl]piperazine
CID 27128878
2-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide
CID 55462460
(2R)-N-cyclopropyl-2-hydroxy-2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]acetamide
CID 129490316
1-[(1-propyltetrazol-5-yl)methyl]piperazine
CID 43090479
N,4-dimethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-amine
CID 115304896
1-[bis(4-fluorophenyl)methyl]-4-[(1-propyltetrazol-5-yl)methyl]piperazine
CID 36840528
2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[1-(cyclohexen-1-yl)ethyl]acetamide
CID 72855711
N-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]benzamide
CID 33107610
ethyl (3R)-1-[(1-propyltetrazol-5-yl)methyl]piperidine-3-carboxylate
CID 81337751
2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetic acid;hydrochloride
CID 75357903
methyl 2-[[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]amino]-4-methylsulfanylbutanoate
CID 45211270

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-propan-2-yl-2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide (CID 86908514) is N-propan-2-yl-2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-propan-2-yl-2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide is CCCn1nnnc1CN1CCN(CC(=O)NC(C)C)CC1.
What is the InChIKey of N-propan-2-yl-2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is ZSRGDEXOQQHMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N7O/c1-4-5-21-13(16-17-18-21)10-19-6-8-20(9-7-19)11-14(22)15-12(2)3/h12H,4-11H2,1-3H3,(H,15,22).
What are the key properties of N-propan-2-yl-2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide?
N-propan-2-yl-2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 309.42 g/mol, XLogP of -0.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 86908514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).