N-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]pentanamide

C13H22N6O2 — CID 47042913

IUPACN-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]pentanamide
SMILESCCCCC(=O)NC1CCN(C(=O)Cn2cnnn2)CC1
InChIInChI=1S/C13H22N6O2/c1-2-3-4-12(20)15-11-5-7-18(8-6-11)13(21)9-19-10-14-16-17-19/h10-11H,2-9H2,1H3,(H,15,20)
InChIKeyKCMIEOMCXSUJBC-UHFFFAOYSA-N
MW294.36 g/mol
LogP-0.03
Rot. Bonds6

About N-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]pentanamide

N-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]pentanamide (PubChem CID 47042913) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]pentanamide.

Molecular Properties

Compound NameN-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]pentanamide
PubChem CID47042913
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC NameN-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]pentanamide
SMILESCCCCC(=O)NC1CCN(C(=O)Cn2cnnn2)CC1
InChIInChI=1S/C13H22N6O2/c1-2-3-4-12(20)15-11-5-7-18(8-6-11)13(21)9-19-10-14-16-17-19/h10-11H,2-9H2,1H3,(H,15,20)
InChIKeyKCMIEOMCXSUJBC-UHFFFAOYSA-N
XLogP-0.03
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]pentanamide?
The IUPAC name of N-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]pentanamide (CID 47042913) is N-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]pentanamide.
What is the SMILES notation for N-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]pentanamide?
The canonical SMILES for N-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]pentanamide is CCCCC(=O)NC1CCN(C(=O)Cn2cnnn2)CC1.
What is the InChIKey of N-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]pentanamide?
The InChIKey is KCMIEOMCXSUJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-2-3-4-12(20)15-11-5-7-18(8-6-11)13(21)9-19-10-14-16-17-19/h10-11H,2-9H2,1H3,(H,15,20).
What are the key properties of N-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]pentanamide?
N-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]pentanamide has a molecular weight of 294.36 g/mol, XLogP of -0.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]pentanamide is sourced from PubChem (CID 47042913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).