N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1-pyridin-2-ylethyl)butanamide

C20H31N7O — CID 24819275

IUPACN-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1-pyridin-2-ylethyl)butanamide
SMILESCC1CCN(Cc2nnnn2CCCC(=O)N(C)C(C)c2ccccn2)CC1
InChIInChI=1S/C20H31N7O/c1-16-9-13-26(14-10-16)15-19-22-23-24-27(19)12-6-8-20(28)25(3)17(2)18-7-4-5-11-21-18/h4-5,7,11,16-17H,6,8-10,12-15H2,1-3H3
InChIKeyCBZDRBPTXHZUGM-UHFFFAOYSA-N
MW385.52 g/mol
LogP2.30
Rot. Bonds8

About N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1-pyridin-2-ylethyl)butanamide

N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1-pyridin-2-ylethyl)butanamide (PubChem CID 24819275) has the molecular formula C20H31N7O and a molecular weight of 385.52 g/mol. Its IUPAC name is N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1-pyridin-2-ylethyl)butanamide.

Molecular Properties

Compound NameN-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1-pyridin-2-ylethyl)butanamide
PubChem CID24819275
Molecular FormulaC20H31N7O
Molecular Weight385.52 g/mol
Exact Mass385.26
IUPAC NameN-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1-pyridin-2-ylethyl)butanamide
SMILESCC1CCN(Cc2nnnn2CCCC(=O)N(C)C(C)c2ccccn2)CC1
InChIInChI=1S/C20H31N7O/c1-16-9-13-26(14-10-16)15-19-22-23-24-27(19)12-6-8-20(28)25(3)17(2)18-7-4-5-11-21-18/h4-5,7,11,16-17H,6,8-10,12-15H2,1-3H3
InChIKeyCBZDRBPTXHZUGM-UHFFFAOYSA-N
XLogP2.30
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1-pyridin-2-ylethyl)butanamide?
The IUPAC name of N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1-pyridin-2-ylethyl)butanamide (CID 24819275) is N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1-pyridin-2-ylethyl)butanamide.
What is the SMILES notation for N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1-pyridin-2-ylethyl)butanamide?
The canonical SMILES for N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1-pyridin-2-ylethyl)butanamide is CC1CCN(Cc2nnnn2CCCC(=O)N(C)C(C)c2ccccn2)CC1.
What is the InChIKey of N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1-pyridin-2-ylethyl)butanamide?
The InChIKey is CBZDRBPTXHZUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N7O/c1-16-9-13-26(14-10-16)15-19-22-23-24-27(19)12-6-8-20(28)25(3)17(2)18-7-4-5-11-21-18/h4-5,7,11,16-17H,6,8-10,12-15H2,1-3H3.
What are the key properties of N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1-pyridin-2-ylethyl)butanamide?
N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1-pyridin-2-ylethyl)butanamide has a molecular weight of 385.52 g/mol, XLogP of 2.30, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1-pyridin-2-ylethyl)butanamide is sourced from PubChem (CID 24819275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).