N-[3-(3-methylpiperidin-1-yl)propyl]-2-(tetrazol-1-yl)acetamide

C12H22N6O — CID 71895473

IUPACN-[3-(3-methylpiperidin-1-yl)propyl]-2-(tetrazol-1-yl)acetamide
SMILESCC1CCCN(CCCNC(=O)Cn2cnnn2)C1
InChIInChI=1S/C12H22N6O/c1-11-4-2-6-17(8-11)7-3-5-13-12(19)9-18-10-14-15-16-18/h10-11H,2-9H2,1H3,(H,13,19)
InChIKeyUVBVEUZWCFDBJV-UHFFFAOYSA-N
MW266.35 g/mol
LogP-0.09
Rot. Bonds6

About N-[3-(3-methylpiperidin-1-yl)propyl]-2-(tetrazol-1-yl)acetamide

N-[3-(3-methylpiperidin-1-yl)propyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 71895473) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is N-[3-(3-methylpiperidin-1-yl)propyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(3-methylpiperidin-1-yl)propyl]-2-(tetrazol-1-yl)acetamide
PubChem CID71895473
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC NameN-[3-(3-methylpiperidin-1-yl)propyl]-2-(tetrazol-1-yl)acetamide
SMILESCC1CCCN(CCCNC(=O)Cn2cnnn2)C1
InChIInChI=1S/C12H22N6O/c1-11-4-2-6-17(8-11)7-3-5-13-12(19)9-18-10-14-15-16-18/h10-11H,2-9H2,1H3,(H,13,19)
InChIKeyUVBVEUZWCFDBJV-UHFFFAOYSA-N
XLogP-0.09
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 45823979
N-(2-piperidin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 45893430
3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide
CID 53498427
N-(2-acetamidoethyl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 56802650
N-(3-methylcyclohexyl)-2-(tetrazol-1-yl)acetamide
CID 45810314
N-(cyclohexylmethyl)-N-methyl-2-(tetrazol-1-yl)acetamide
CID 45819294
N-[2-(4-ethylpiperazin-1-yl)propyl]-2-(tetrazol-1-yl)acetamide
CID 45823936
N-piperidin-4-yl-2-(tetrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 43603373
2-(Tetrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 71900846
N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2-(tetrazol-1-yl)acetamide
CID 128981229
N-[(3R,6R)-1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2-(tetrazol-1-yl)acetamide
CID 129535156
N-[(3S,6R)-1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2-(tetrazol-1-yl)acetamide
CID 129535157

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylpiperidin-1-yl)propyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[3-(3-methylpiperidin-1-yl)propyl]-2-(tetrazol-1-yl)acetamide (CID 71895473) is N-[3-(3-methylpiperidin-1-yl)propyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[3-(3-methylpiperidin-1-yl)propyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[3-(3-methylpiperidin-1-yl)propyl]-2-(tetrazol-1-yl)acetamide is CC1CCCN(CCCNC(=O)Cn2cnnn2)C1.
What is the InChIKey of N-[3-(3-methylpiperidin-1-yl)propyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is UVBVEUZWCFDBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-11-4-2-6-17(8-11)7-3-5-13-12(19)9-18-10-14-15-16-18/h10-11H,2-9H2,1H3,(H,13,19).
What are the key properties of N-[3-(3-methylpiperidin-1-yl)propyl]-2-(tetrazol-1-yl)acetamide?
N-[3-(3-methylpiperidin-1-yl)propyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 266.35 g/mol, XLogP of -0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylpiperidin-1-yl)propyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 71895473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).