N,N-dimethyl-4-[(2-methyltetrazol-5-yl)methyl]piperidine-2-carboxamide

C11H20N6O — CID 107054765

IUPACN,N-dimethyl-4-[(2-methyltetrazol-5-yl)methyl]piperidine-2-carboxamide
SMILESCN(C)C(=O)C1CC(Cc2nnn(C)n2)CCN1
InChIInChI=1S/C11H20N6O/c1-16(2)11(18)9-6-8(4-5-12-9)7-10-13-15-17(3)14-10/h8-9,12H,4-7H2,1-3H3
InChIKeyIWWQERSEBFVOHL-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.79
Rot. Bonds3

About N,N-dimethyl-4-[(2-methyltetrazol-5-yl)methyl]piperidine-2-carboxamide

N,N-dimethyl-4-[(2-methyltetrazol-5-yl)methyl]piperidine-2-carboxamide (PubChem CID 107054765) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is N,N-dimethyl-4-[(2-methyltetrazol-5-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(2-methyltetrazol-5-yl)methyl]piperidine-2-carboxamide
PubChem CID107054765
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC NameN,N-dimethyl-4-[(2-methyltetrazol-5-yl)methyl]piperidine-2-carboxamide
SMILESCN(C)C(=O)C1CC(Cc2nnn(C)n2)CCN1
InChIInChI=1S/C11H20N6O/c1-16(2)11(18)9-6-8(4-5-12-9)7-10-13-15-17(3)14-10/h8-9,12H,4-7H2,1-3H3
InChIKeyIWWQERSEBFVOHL-UHFFFAOYSA-N
XLogP-0.79
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(ethylamino)-N,4-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide
CID 9881854
(2S)-2-amino-N-[(2-tert-butyltetrazol-5-yl)methyl]-3-methylpentanamide
CID 67291787
N-[(2-methyltetrazol-5-yl)methyl]cyclohexanecarboxamide
CID 128125721
[2-[[(2S)-6-amino-1-[(2-methyltetrazol-5-yl)methylamino]-1-oxohexan-2-yl]amino]-2-oxoethyl]-trimethylazanium
CID 146353639
[2-[[6-Amino-1-[(2-methyltetrazol-5-yl)methylamino]-1-oxohexan-2-yl]amino]-2-oxoethyl]-trimethylazanium
CID 156495347
N-[3-(2-methyltetrazol-5-yl)-1-oxo-1-[2-oxopentan-3-yl(propyl)amino]propan-2-yl]-2-propylpentanamide
CID 163894303
(2S)-N-[(1S)-1-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]-3-methylbutyl]pyrrolidine-2-carboxamide
CID 10405317
N-[1-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]-3-methylbutyl]pyrrolidine-2-carboxamide
CID 14235992
1-piperidin-1-yl-N-[1-(1H-tetrazol-5-yl)ethyl]cyclohexanecarboxamide
CID 50953352
3-piperidin-3-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 61855034
N-[1-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxamide
CID 61857011
3-piperidin-4-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 62211480

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(2-methyltetrazol-5-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of N,N-dimethyl-4-[(2-methyltetrazol-5-yl)methyl]piperidine-2-carboxamide (CID 107054765) is N,N-dimethyl-4-[(2-methyltetrazol-5-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[(2-methyltetrazol-5-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[(2-methyltetrazol-5-yl)methyl]piperidine-2-carboxamide is CN(C)C(=O)C1CC(Cc2nnn(C)n2)CCN1.
What is the InChIKey of N,N-dimethyl-4-[(2-methyltetrazol-5-yl)methyl]piperidine-2-carboxamide?
The InChIKey is IWWQERSEBFVOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-16(2)11(18)9-6-8(4-5-12-9)7-10-13-15-17(3)14-10/h8-9,12H,4-7H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[(2-methyltetrazol-5-yl)methyl]piperidine-2-carboxamide?
N,N-dimethyl-4-[(2-methyltetrazol-5-yl)methyl]piperidine-2-carboxamide has a molecular weight of 252.32 g/mol, XLogP of -0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(2-methyltetrazol-5-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 107054765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).