N-[(3S)-1-[2-(5-cyclohexyltetrazol-1-yl)acetyl]piperidin-3-yl]acetamide

C16H26N6O2 — CID 97247253

IUPACN-[(3S)-1-[2-(5-cyclohexyltetrazol-1-yl)acetyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCCN(C(=O)Cn2nnnc2C2CCCCC2)C1
InChIInChI=1S/C16H26N6O2/c1-12(23)17-14-8-5-9-21(10-14)15(24)11-22-16(18-19-20-22)13-6-3-2-4-7-13/h13-14H,2-11H2,1H3,(H,17,23)/t14-/m0/s1
InChIKeyDOBZOLKLHTUSEF-AWEZNQCLSA-N
MW334.42 g/mol
LogP0.85
Rot. Bonds4

About N-[(3S)-1-[2-(5-cyclohexyltetrazol-1-yl)acetyl]piperidin-3-yl]acetamide

N-[(3S)-1-[2-(5-cyclohexyltetrazol-1-yl)acetyl]piperidin-3-yl]acetamide (PubChem CID 97247253) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(3S)-1-[2-(5-cyclohexyltetrazol-1-yl)acetyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[2-(5-cyclohexyltetrazol-1-yl)acetyl]piperidin-3-yl]acetamide
PubChem CID97247253
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC NameN-[(3S)-1-[2-(5-cyclohexyltetrazol-1-yl)acetyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCCN(C(=O)Cn2nnnc2C2CCCCC2)C1
InChIInChI=1S/C16H26N6O2/c1-12(23)17-14-8-5-9-21(10-14)15(24)11-22-16(18-19-20-22)13-6-3-2-4-7-13/h13-14H,2-11H2,1H3,(H,17,23)/t14-/m0/s1
InChIKeyDOBZOLKLHTUSEF-AWEZNQCLSA-N
XLogP0.85
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[2-(5-cyclohexyltetrazol-1-yl)acetyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[2-(5-cyclohexyltetrazol-1-yl)acetyl]piperidin-3-yl]acetamide (CID 97247253) is N-[(3S)-1-[2-(5-cyclohexyltetrazol-1-yl)acetyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[2-(5-cyclohexyltetrazol-1-yl)acetyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[2-(5-cyclohexyltetrazol-1-yl)acetyl]piperidin-3-yl]acetamide is CC(=O)N[C@H]1CCCN(C(=O)Cn2nnnc2C2CCCCC2)C1.
What is the InChIKey of N-[(3S)-1-[2-(5-cyclohexyltetrazol-1-yl)acetyl]piperidin-3-yl]acetamide?
The InChIKey is DOBZOLKLHTUSEF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N6O2/c1-12(23)17-14-8-5-9-21(10-14)15(24)11-22-16(18-19-20-22)13-6-3-2-4-7-13/h13-14H,2-11H2,1H3,(H,17,23)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-[2-(5-cyclohexyltetrazol-1-yl)acetyl]piperidin-3-yl]acetamide?
N-[(3S)-1-[2-(5-cyclohexyltetrazol-1-yl)acetyl]piperidin-3-yl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[2-(5-cyclohexyltetrazol-1-yl)acetyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 97247253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).