3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]piperidine-3-carboxamide

C10H18N6O — CID 63135102

IUPAC3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]piperidine-3-carboxamide
SMILESCC(NC(=O)C1(C)CCCNC1)c1nn[nH]n1
InChIInChI=1S/C10H18N6O/c1-7(8-13-15-16-14-8)12-9(17)10(2)4-3-5-11-6-10/h7,11H,3-6H2,1-2H3,(H,12,17)(H,13,14,15,16)
InChIKeyYHPGXNMFNLNLSI-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.23
Rot. Bonds3

About 3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]piperidine-3-carboxamide

3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]piperidine-3-carboxamide (PubChem CID 63135102) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]piperidine-3-carboxamide
PubChem CID63135102
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]piperidine-3-carboxamide
SMILESCC(NC(=O)C1(C)CCCNC1)c1nn[nH]n1
InChIInChI=1S/C10H18N6O/c1-7(8-13-15-16-14-8)12-9(17)10(2)4-3-5-11-6-10/h7,11H,3-6H2,1-2H3,(H,12,17)(H,13,14,15,16)
InChIKeyYHPGXNMFNLNLSI-UHFFFAOYSA-N
XLogP-0.23
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]thiolane-2-carboxamide
CID 81450334
3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 119945380
1-(N'-hydroxycarbamimidoyl)-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 80597791
3-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide
CID 115747548
N-(1-cyanopropan-2-yl)-3-methylpiperidine-3-carboxamide
CID 63134860
N-[1-(2-chlorophenyl)ethyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943839
2,2,3,3-tetramethyl-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 66477311
N-[1-(2H-tetrazol-5-yl)ethyl]azepane-1-carboxamide
CID 79151677
N-[1-(2H-tetrazol-5-yl)ethyl]piperidine-1-carboxamide
CID 79155725
3-methyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119945471
N-(2-hydroxypropyl)-3-methylpiperidine-3-carboxamide
CID 63129926
N-[(1R)-1-cycloheptylethyl]-3-methylpiperidine-3-carboxamide
CID 81392969

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]piperidine-3-carboxamide (CID 63135102) is 3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]piperidine-3-carboxamide is CC(NC(=O)C1(C)CCCNC1)c1nn[nH]n1.
What is the InChIKey of 3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is YHPGXNMFNLNLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c1-7(8-13-15-16-14-8)12-9(17)10(2)4-3-5-11-6-10/h7,11H,3-6H2,1-2H3,(H,12,17)(H,13,14,15,16).
What are the key properties of 3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]piperidine-3-carboxamide?
3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of -0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 63135102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).