N-(1-methylpyrazol-4-yl)-2-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]acetamide

C20H29N5O — CID 95719460

IUPACN-(1-methylpyrazol-4-yl)-2-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]acetamide
SMILESCC(C)c1ccc(N[C@@H]2CCCN(CC(=O)Nc3cnn(C)c3)C2)cc1
InChIInChI=1S/C20H29N5O/c1-15(2)16-6-8-17(9-7-16)22-18-5-4-10-25(13-18)14-20(26)23-19-11-21-24(3)12-19/h6-9,11-12,15,18,22H,4-5,10,13-14H2,1-3H3,(H,23,26)/t18-/m1/s1
InChIKeyBDLSNQGBABROOF-GOSISDBHSA-N
MW355.49 g/mol
LogP3.06
Rot. Bonds6

About N-(1-methylpyrazol-4-yl)-2-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]acetamide

N-(1-methylpyrazol-4-yl)-2-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]acetamide (PubChem CID 95719460) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-2-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-2-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]acetamide
PubChem CID95719460
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC NameN-(1-methylpyrazol-4-yl)-2-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]acetamide
SMILESCC(C)c1ccc(N[C@@H]2CCCN(CC(=O)Nc3cnn(C)c3)C2)cc1
InChIInChI=1S/C20H29N5O/c1-15(2)16-6-8-17(9-7-16)22-18-5-4-10-25(13-18)14-20(26)23-19-11-21-24(3)12-19/h6-9,11-12,15,18,22H,4-5,10,13-14H2,1-3H3,(H,23,26)/t18-/m1/s1
InChIKeyBDLSNQGBABROOF-GOSISDBHSA-N
XLogP3.06
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 22197766
N-(3,4-dichlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545984
ethane;N-(1-methylpyrazol-4-yl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide
CID 144939729
N-(1-methylpyrazol-4-yl)-3-(4-propan-2-ylphenyl)propanamide
CID 47284219
2-[(3S)-3-(4-methoxyanilino)piperidin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide
CID 95729586
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119933876
3-[6-hydroxy-4-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]propanoic acid
CID 74232851
2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide
CID 119918337
1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-2-sulfanylethanone
CID 146483126
2-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 56792884
2-methylsulfanyl-1-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethanone
CID 45190494
2-(4-hydroxypiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 39902284

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-2-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]acetamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-2-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]acetamide (CID 95719460) is N-(1-methylpyrazol-4-yl)-2-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-2-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]acetamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-2-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]acetamide is CC(C)c1ccc(N[C@@H]2CCCN(CC(=O)Nc3cnn(C)c3)C2)cc1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-2-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]acetamide?
The InChIKey is BDLSNQGBABROOF-GOSISDBHSA-N. The full InChI is InChI=1S/C20H29N5O/c1-15(2)16-6-8-17(9-7-16)22-18-5-4-10-25(13-18)14-20(26)23-19-11-21-24(3)12-19/h6-9,11-12,15,18,22H,4-5,10,13-14H2,1-3H3,(H,23,26)/t18-/m1/s1.
What are the key properties of N-(1-methylpyrazol-4-yl)-2-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]acetamide?
N-(1-methylpyrazol-4-yl)-2-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]acetamide has a molecular weight of 355.49 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-2-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]acetamide is sourced from PubChem (CID 95719460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).