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

C18H30N8O — CID 42507816

IUPACN-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]butanamide
SMILESCc1cc(CN(C)C(=O)CCCn2nnnc2CN2CCC(C)CC2)n[nH]1
InChIInChI=1S/C18H30N8O/c1-14-6-9-25(10-7-14)13-17-21-22-23-26(17)8-4-5-18(27)24(3)12-16-11-15(2)19-20-16/h11,14H,4-10,12-13H2,1-3H3,(H,19,20)
InChIKeyMYQRBLDUUTUYFW-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.38
Rot. Bonds8

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

N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]butanamide (PubChem CID 42507816) has the molecular formula C18H30N8O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]butanamide.

Molecular Properties

Compound NameN-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]butanamide
PubChem CID42507816
Molecular FormulaC18H30N8O
Molecular Weight374.49 g/mol
Exact Mass374.25
IUPAC NameN-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]butanamide
SMILESCc1cc(CN(C)C(=O)CCCn2nnnc2CN2CCC(C)CC2)n[nH]1
InChIInChI=1S/C18H30N8O/c1-14-6-9-25(10-7-14)13-17-21-22-23-26(17)8-4-5-18(27)24(3)12-16-11-15(2)19-20-16/h11,14H,4-10,12-13H2,1-3H3,(H,19,20)
InChIKeyMYQRBLDUUTUYFW-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 56709827
1-{[3-(difluoromethyl)-1H-pyrazol-5-yl]carbonyl}-4-(3-methyl-1H-1,2,4-triazol-5-yl)piperidine
CID 118761236
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-4-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}butanamide
CID 25395881
N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide
CID 42287110
1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 56715976
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
CID 126461715
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propanamide
CID 6499048
N-methyl-4-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 42514296
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
CID 45249425
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[3-(5-methyl-4H-1,2,4-triazol-3-yl)piperidino]-1-propanone
CID 53192160
1-[3-(5-Cyclopropyl-4H-1,2,4-triazol-3-YL)piperidin-1-YL]-3-(3,5-dimethyl-1H-pyrazol-1-YL)propan-1-one
CID 53192217
3-(3,5-Dimethyl-1H-pyrazol-1-YL)-1-[4-(5-methyl-4H-1,2,4-triazol-3-YL)piperidin-1-YL]propan-1-one
CID 53192382

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]butanamide?
The IUPAC name of N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]butanamide (CID 42507816) is N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]butanamide.
What is the SMILES notation for N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]butanamide?
The canonical SMILES for N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]butanamide is Cc1cc(CN(C)C(=O)CCCn2nnnc2CN2CCC(C)CC2)n[nH]1.
What is the InChIKey of N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]butanamide?
The InChIKey is MYQRBLDUUTUYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N8O/c1-14-6-9-25(10-7-14)13-17-21-22-23-26(17)8-4-5-18(27)24(3)12-16-11-15(2)19-20-16/h11,14H,4-10,12-13H2,1-3H3,(H,19,20).
What are the key properties of N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]butanamide?
N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]butanamide has a molecular weight of 374.49 g/mol, XLogP of 1.38, 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-[(5-methyl-1H-pyrazol-3-yl)methyl]butanamide is sourced from PubChem (CID 42507816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).