N-(3-oxo-3-piperidin-1-ylpropyl)-2H-tetrazole-5-carboxamide

C10H16N6O2 — CID 113411631

IUPACN-(3-oxo-3-piperidin-1-ylpropyl)-2H-tetrazole-5-carboxamide
SMILESO=C(NCCC(=O)N1CCCCC1)c1nn[nH]n1
InChIInChI=1S/C10H16N6O2/c17-8(16-6-2-1-3-7-16)4-5-11-10(18)9-12-14-15-13-9/h1-7H2,(H,11,18)(H,12,13,14,15)
InChIKeyLQGBVSNXMRAOSW-UHFFFAOYSA-N
MW252.28 g/mol
LogP-0.67
Rot. Bonds4

About N-(3-oxo-3-piperidin-1-ylpropyl)-2H-tetrazole-5-carboxamide

N-(3-oxo-3-piperidin-1-ylpropyl)-2H-tetrazole-5-carboxamide (PubChem CID 113411631) has the molecular formula C10H16N6O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is N-(3-oxo-3-piperidin-1-ylpropyl)-2H-tetrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-3-piperidin-1-ylpropyl)-2H-tetrazole-5-carboxamide
PubChem CID113411631
Molecular FormulaC10H16N6O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC NameN-(3-oxo-3-piperidin-1-ylpropyl)-2H-tetrazole-5-carboxamide
SMILESO=C(NCCC(=O)N1CCCCC1)c1nn[nH]n1
InChIInChI=1S/C10H16N6O2/c17-8(16-6-2-1-3-7-16)4-5-11-10(18)9-12-14-15-13-9/h1-7H2,(H,11,18)(H,12,13,14,15)
InChIKeyLQGBVSNXMRAOSW-UHFFFAOYSA-N
XLogP-0.67
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876
N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 115583806
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 113221674
6-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60651329
4-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3H-phthalazine-1-carboxamide
CID 46598237
5-hydroxy-N-(3-oxo-3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 115620341
6-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide
CID 103187315
3-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 113411593
2-amino-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 83620523
2-methoxy-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 115581606
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 8868826

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-3-piperidin-1-ylpropyl)-2H-tetrazole-5-carboxamide?
The IUPAC name of N-(3-oxo-3-piperidin-1-ylpropyl)-2H-tetrazole-5-carboxamide (CID 113411631) is N-(3-oxo-3-piperidin-1-ylpropyl)-2H-tetrazole-5-carboxamide.
What is the SMILES notation for N-(3-oxo-3-piperidin-1-ylpropyl)-2H-tetrazole-5-carboxamide?
The canonical SMILES for N-(3-oxo-3-piperidin-1-ylpropyl)-2H-tetrazole-5-carboxamide is O=C(NCCC(=O)N1CCCCC1)c1nn[nH]n1.
What is the InChIKey of N-(3-oxo-3-piperidin-1-ylpropyl)-2H-tetrazole-5-carboxamide?
The InChIKey is LQGBVSNXMRAOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2/c17-8(16-6-2-1-3-7-16)4-5-11-10(18)9-12-14-15-13-9/h1-7H2,(H,11,18)(H,12,13,14,15).
What are the key properties of N-(3-oxo-3-piperidin-1-ylpropyl)-2H-tetrazole-5-carboxamide?
N-(3-oxo-3-piperidin-1-ylpropyl)-2H-tetrazole-5-carboxamide has a molecular weight of 252.28 g/mol, XLogP of -0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-3-piperidin-1-ylpropyl)-2H-tetrazole-5-carboxamide is sourced from PubChem (CID 113411631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).