N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide

C18H30N8O — CID 42287110

IUPACN-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide
SMILESCCCc1cc(CN(C)C(=O)Cn2nnnc2CN2CCC(C)CC2)[nH]n1
InChIInChI=1S/C18H30N8O/c1-4-5-15-10-16(20-19-15)11-24(3)18(27)13-26-17(21-22-23-26)12-25-8-6-14(2)7-9-25/h10,14H,4-9,11-13H2,1-3H3,(H,19,20)
InChIKeyPRSCNCGHPCBFTO-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.24
Rot. Bonds8

About N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide

N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide (PubChem CID 42287110) has the molecular formula C18H30N8O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide
PubChem CID42287110
Molecular FormulaC18H30N8O
Molecular Weight374.49 g/mol
Exact Mass374.25
IUPAC NameN-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide
SMILESCCCc1cc(CN(C)C(=O)Cn2nnnc2CN2CCC(C)CC2)[nH]n1
InChIInChI=1S/C18H30N8O/c1-4-5-15-10-16(20-19-15)11-24(3)18(27)13-26-17(21-22-23-26)12-25-8-6-14(2)7-9-25/h10,14H,4-9,11-13H2,1-3H3,(H,19,20)
InChIKeyPRSCNCGHPCBFTO-UHFFFAOYSA-N
XLogP1.24
TPSA95.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide (CID 42287110) is N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide is CCCc1cc(CN(C)C(=O)Cn2nnnc2CN2CCC(C)CC2)[nH]n1.
What is the InChIKey of N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide?
The InChIKey is PRSCNCGHPCBFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N8O/c1-4-5-15-10-16(20-19-15)11-24(3)18(27)13-26-17(21-22-23-26)12-25-8-6-14(2)7-9-25/h10,14H,4-9,11-13H2,1-3H3,(H,19,20).
What are the key properties of N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide?
N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide has a molecular weight of 374.49 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide is sourced from PubChem (CID 42287110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).