N-cyclopropyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide

C20H32N8O — CID 25381684

IUPACN-cyclopropyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
SMILESCc1nn(C)c(C)c1CN(C(=O)Cn1nnnc1CN1CCC(C)CC1)C1CC1
InChIInChI=1S/C20H32N8O/c1-14-7-9-26(10-8-14)12-19-21-23-24-28(19)13-20(29)27(17-5-6-17)11-18-15(2)22-25(4)16(18)3/h14,17H,5-13H2,1-4H3
InChIKeyBGWNDRDBOAZRRK-UHFFFAOYSA-N
MW400.53 g/mol
LogP1.45
Rot. Bonds7

About N-cyclopropyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide

N-cyclopropyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide (PubChem CID 25381684) has the molecular formula C20H32N8O and a molecular weight of 400.53 g/mol. Its IUPAC name is N-cyclopropyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
PubChem CID25381684
Molecular FormulaC20H32N8O
Molecular Weight400.53 g/mol
Exact Mass400.27
IUPAC NameN-cyclopropyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
SMILESCc1nn(C)c(C)c1CN(C(=O)Cn1nnnc1CN1CCC(C)CC1)C1CC1
InChIInChI=1S/C20H32N8O/c1-14-7-9-26(10-8-14)12-19-21-23-24-28(19)13-20(29)27(17-5-6-17)11-18-15(2)22-25(4)16(18)3/h14,17H,5-13H2,1-4H3
InChIKeyBGWNDRDBOAZRRK-UHFFFAOYSA-N
XLogP1.45
TPSA84.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one
CID 164633645
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
4-ethyl-5-{1-[(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]piperidin-3-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56704583
4-({5-[(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl}methyl)-1-methylpiperidine
CID 56720072
4-ethyl-5-{1-[(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56720619
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
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
1-[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 72142691
2-[3,5-Dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 72143111
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
CID 72847972
2-[5-(morpholin-4-ylmethyl)-1H-tetrazol-1-yl]-N-[3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propyl]acetamide
CID 72862643
N-[1-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[5-(morpholin-4-ylmethyl)-1H-tetrazol-1-yl]acetamide
CID 72902891

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide (CID 25381684) is N-cyclopropyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide is Cc1nn(C)c(C)c1CN(C(=O)Cn1nnnc1CN1CCC(C)CC1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
The InChIKey is BGWNDRDBOAZRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N8O/c1-14-7-9-26(10-8-14)12-19-21-23-24-28(19)13-20(29)27(17-5-6-17)11-18-15(2)22-25(4)16(18)3/h14,17H,5-13H2,1-4H3.
What are the key properties of N-cyclopropyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
N-cyclopropyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide has a molecular weight of 400.53 g/mol, XLogP of 1.45, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 25381684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).