N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3-(tetrazol-1-yl)propanamide

C16H23N7O — CID 70763922

IUPACN-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3-(tetrazol-1-yl)propanamide
SMILESCN1CCC(N(Cc2ccncc2)C(=O)CCn2cnnn2)CC1
InChIInChI=1S/C16H23N7O/c1-21-9-4-15(5-10-21)23(12-14-2-7-17-8-3-14)16(24)6-11-22-13-18-19-20-22/h2-3,7-8,13,15H,4-6,9-12H2,1H3
InChIKeyXYBRJNDUCCDYGQ-UHFFFAOYSA-N
MW329.41 g/mol
LogP0.58
Rot. Bonds6

About N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3-(tetrazol-1-yl)propanamide

N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3-(tetrazol-1-yl)propanamide (PubChem CID 70763922) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3-(tetrazol-1-yl)propanamide
PubChem CID70763922
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC NameN-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3-(tetrazol-1-yl)propanamide
SMILESCN1CCC(N(Cc2ccncc2)C(=O)CCn2cnnn2)CC1
InChIInChI=1S/C16H23N7O/c1-21-9-4-15(5-10-21)23(12-14-2-7-17-8-3-14)16(24)6-11-22-13-18-19-20-22/h2-3,7-8,13,15H,4-6,9-12H2,1H3
InChIKeyXYBRJNDUCCDYGQ-UHFFFAOYSA-N
XLogP0.58
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3-(tetrazol-1-yl)propanamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3-(tetrazol-1-yl)propanamide (CID 70763922) is N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3-(tetrazol-1-yl)propanamide is CN1CCC(N(Cc2ccncc2)C(=O)CCn2cnnn2)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3-(tetrazol-1-yl)propanamide?
The InChIKey is XYBRJNDUCCDYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-21-9-4-15(5-10-21)23(12-14-2-7-17-8-3-14)16(24)6-11-22-13-18-19-20-22/h2-3,7-8,13,15H,4-6,9-12H2,1H3.
What are the key properties of N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3-(tetrazol-1-yl)propanamide?
N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3-(tetrazol-1-yl)propanamide has a molecular weight of 329.41 g/mol, XLogP of 0.58, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 70763922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).