ethane;N-(1-methylpyrazol-4-yl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide

C23H34N6O — CID 144939729

IUPACethane;N-(1-methylpyrazol-4-yl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide
SMILESCC.CC(C)n1c(C2CCCN(CC(=O)Nc3cnn(C)c3)C2)nc2ccccc21
InChIInChI=1S/C21H28N6O.C2H6/c1-15(2)27-19-9-5-4-8-18(19)24-21(27)16-7-6-10-26(12-16)14-20(28)23-17-11-22-25(3)13-17;1-2/h4-5,8-9,11,13,15-16H,6-7,10,12,14H2,1-3H3,(H,23,28);1-2H3
InChIKeyLCABVCZAMBTLBL-UHFFFAOYSA-N
MW410.57 g/mol
LogP4.20
Rot. Bonds5

About ethane;N-(1-methylpyrazol-4-yl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide

ethane;N-(1-methylpyrazol-4-yl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide (PubChem CID 144939729) has the molecular formula C23H34N6O and a molecular weight of 410.57 g/mol. Its IUPAC name is ethane;N-(1-methylpyrazol-4-yl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound Nameethane;N-(1-methylpyrazol-4-yl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide
PubChem CID144939729
Molecular FormulaC23H34N6O
Molecular Weight410.57 g/mol
Exact Mass410.28
IUPAC Nameethane;N-(1-methylpyrazol-4-yl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide
SMILESCC.CC(C)n1c(C2CCCN(CC(=O)Nc3cnn(C)c3)C2)nc2ccccc21
InChIInChI=1S/C21H28N6O.C2H6/c1-15(2)27-19-9-5-4-8-18(19)24-21(27)16-7-6-10-26(12-16)14-20(28)23-17-11-22-25(3)13-17;1-2/h4-5,8-9,11,13,15-16H,6-7,10,12,14H2,1-3H3,(H,23,28);1-2H3
InChIKeyLCABVCZAMBTLBL-UHFFFAOYSA-N
XLogP4.20
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.57
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 46976995
N-carbamoyl-2-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide
CID 95321353
N-(butylcarbamoyl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide
CID 86951949
4-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butanoic acid
CID 119958693
2-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 120704503
(2R)-2-amino-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 119887256
N-(1-methylpyrazol-4-yl)-2-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]acetamide
CID 95719460
2-methyl-3-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119887263
2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 92626423
[3-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidine-1-carbonyl]phenyl]urea
CID 99808037
(2R)-2-methylsulfanyl-1-[(3S)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 95348209
[(2R)-piperidin-2-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 119887232

Frequently Asked Questions

What is the IUPAC name of ethane;N-(1-methylpyrazol-4-yl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide?
The IUPAC name of ethane;N-(1-methylpyrazol-4-yl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide (CID 144939729) is ethane;N-(1-methylpyrazol-4-yl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for ethane;N-(1-methylpyrazol-4-yl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide?
The canonical SMILES for ethane;N-(1-methylpyrazol-4-yl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide is CC.CC(C)n1c(C2CCCN(CC(=O)Nc3cnn(C)c3)C2)nc2ccccc21.
What is the InChIKey of ethane;N-(1-methylpyrazol-4-yl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide?
The InChIKey is LCABVCZAMBTLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O.C2H6/c1-15(2)27-19-9-5-4-8-18(19)24-21(27)16-7-6-10-26(12-16)14-20(28)23-17-11-22-25(3)13-17;1-2/h4-5,8-9,11,13,15-16H,6-7,10,12,14H2,1-3H3,(H,23,28);1-2H3.
What are the key properties of ethane;N-(1-methylpyrazol-4-yl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide?
ethane;N-(1-methylpyrazol-4-yl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide has a molecular weight of 410.57 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(1-methylpyrazol-4-yl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 144939729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).