N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1H-pyrazol-5-ylmethyl)butanamide

C17H28N8O — CID 42514296

IUPACN-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1H-pyrazol-5-ylmethyl)butanamide
SMILESCC1CCN(Cc2nnnn2CCCC(=O)N(C)Cc2ccn[nH]2)CC1
InChIInChI=1S/C17H28N8O/c1-14-6-10-24(11-7-14)13-16-20-21-22-25(16)9-3-4-17(26)23(2)12-15-5-8-18-19-15/h5,8,14H,3-4,6-7,9-13H2,1-2H3,(H,18,19)
InChIKeyDGMRBROJBTYLMW-UHFFFAOYSA-N
MW360.47 g/mol
LogP1.07
Rot. Bonds8

About N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1H-pyrazol-5-ylmethyl)butanamide

N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1H-pyrazol-5-ylmethyl)butanamide (PubChem CID 42514296) has the molecular formula C17H28N8O and a molecular weight of 360.47 g/mol. Its IUPAC name is N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1H-pyrazol-5-ylmethyl)butanamide.

Molecular Properties

Compound NameN-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1H-pyrazol-5-ylmethyl)butanamide
PubChem CID42514296
Molecular FormulaC17H28N8O
Molecular Weight360.47 g/mol
Exact Mass360.24
IUPAC NameN-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1H-pyrazol-5-ylmethyl)butanamide
SMILESCC1CCN(Cc2nnnn2CCCC(=O)N(C)Cc2ccn[nH]2)CC1
InChIInChI=1S/C17H28N8O/c1-14-6-10-24(11-7-14)13-16-20-21-22-25(16)9-3-4-17(26)23(2)12-15-5-8-18-19-15/h5,8,14H,3-4,6-7,9-13H2,1-2H3,(H,18,19)
InChIKeyDGMRBROJBTYLMW-UHFFFAOYSA-N
XLogP1.07
TPSA95.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 51.07
H-Bond Donors ≤ 51
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-(1H-pyrazol-5-ylmethyl)butanamide?
The IUPAC name of N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1H-pyrazol-5-ylmethyl)butanamide (CID 42514296) is N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1H-pyrazol-5-ylmethyl)butanamide.
What is the SMILES notation for N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1H-pyrazol-5-ylmethyl)butanamide?
The canonical SMILES for N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1H-pyrazol-5-ylmethyl)butanamide is CC1CCN(Cc2nnnn2CCCC(=O)N(C)Cc2ccn[nH]2)CC1.
What is the InChIKey of N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1H-pyrazol-5-ylmethyl)butanamide?
The InChIKey is DGMRBROJBTYLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N8O/c1-14-6-10-24(11-7-14)13-16-20-21-22-25(16)9-3-4-17(26)23(2)12-15-5-8-18-19-15/h5,8,14H,3-4,6-7,9-13H2,1-2H3,(H,18,19).
What are the key properties of N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1H-pyrazol-5-ylmethyl)butanamide?
N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(1H-pyrazol-5-ylmethyl)butanamide has a molecular weight of 360.47 g/mol, XLogP of 1.07, 8 rotatable bonds, 1 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-(1H-pyrazol-5-ylmethyl)butanamide is sourced from PubChem (CID 42514296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).