2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide

C20H36N6O — CID 136525849

IUPAC2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCC(C)N1CCC(NC(=O)CN2CCCN(Cc3cnn(C)c3)CC2)CC1
InChIInChI=1S/C20H36N6O/c1-17(2)26-9-5-19(6-10-26)22-20(27)16-25-8-4-7-24(11-12-25)15-18-13-21-23(3)14-18/h13-14,17,19H,4-12,15-16H2,1-3H3,(H,22,27)
InChIKeyAMCPYNWKECPGHW-UHFFFAOYSA-N
MW376.55 g/mol
LogP0.92
Rot. Bonds6

About 2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide

2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide (PubChem CID 136525849) has the molecular formula C20H36N6O and a molecular weight of 376.55 g/mol. Its IUPAC name is 2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide
PubChem CID136525849
Molecular FormulaC20H36N6O
Molecular Weight376.55 g/mol
Exact Mass376.30
IUPAC Name2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCC(C)N1CCC(NC(=O)CN2CCCN(Cc3cnn(C)c3)CC2)CC1
InChIInChI=1S/C20H36N6O/c1-17(2)26-9-5-19(6-10-26)22-20(27)16-25-8-4-7-24(11-12-25)15-18-13-21-23(3)14-18/h13-14,17,19H,4-12,15-16H2,1-3H3,(H,22,27)
InChIKeyAMCPYNWKECPGHW-UHFFFAOYSA-N
XLogP0.92
TPSA56.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2,2-dimethylpropyl)-3-oxo-2-piperazinyl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 16190577
N-(1-ethylpiperidin-4-yl)-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide
CID 53556864
N-(1-ethylpiperidin-4-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53590070
N-(1-ethylpiperidin-4-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 53608327
(1-Methylpyrrolidin-2-yl)-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53613893
N-(1-ethylpiperidin-4-yl)-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53618683
N-(1-ethylpiperidin-4-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
CID 53623783
2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
CID 53626853
2-[Cyclopropyl(methyl)amino]-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 56780174
2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]-N-(oxan-4-yl)acetamide
CID 56780299
N-(2-methylpropyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide
CID 56780732
8-methyl-N-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56908370

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide (CID 136525849) is 2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide is CC(C)N1CCC(NC(=O)CN2CCCN(Cc3cnn(C)c3)CC2)CC1.
What is the InChIKey of 2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The InChIKey is AMCPYNWKECPGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N6O/c1-17(2)26-9-5-19(6-10-26)22-20(27)16-25-8-4-7-24(11-12-25)15-18-13-21-23(3)14-18/h13-14,17,19H,4-12,15-16H2,1-3H3,(H,22,27).
What are the key properties of 2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide has a molecular weight of 376.55 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 136525849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).