2,2-dimethyl-N-[2-[1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]pyrazol-3-yl]propanamide

C23H30N4O2 — CID 42557179

IUPAC2,2-dimethyl-N-[2-[1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]pyrazol-3-yl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccnn1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C23H30N4O2/c1-23(2,3)22(29)25-20-9-12-24-27(20)17-10-13-26(14-11-17)21(28)19-15-18(19)16-7-5-4-6-8-16/h4-9,12,17-19H,10-11,13-15H2,1-3H3,(H,25,29)/t18-,19+/m0/s1
InChIKeyKLAKZRVZVQEYPJ-RBUKOAKNSA-N
MW394.52 g/mol
LogP3.83
Rot. Bonds4

About 2,2-dimethyl-N-[2-[1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]pyrazol-3-yl]propanamide

2,2-dimethyl-N-[2-[1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]pyrazol-3-yl]propanamide (PubChem CID 42557179) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]pyrazol-3-yl]propanamide
PubChem CID42557179
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2,2-dimethyl-N-[2-[1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]pyrazol-3-yl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccnn1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C23H30N4O2/c1-23(2,3)22(29)25-20-9-12-24-27(20)17-10-13-26(14-11-17)21(28)19-15-18(19)16-7-5-4-6-8-16/h4-9,12,17-19H,10-11,13-15H2,1-3H3,(H,25,29)/t18-,19+/m0/s1
InChIKeyKLAKZRVZVQEYPJ-RBUKOAKNSA-N
XLogP3.83
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide
CID 26408456
2,2-dimethyl-N-[2-[1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide
CID 25286412
2,2-dimethyl-N-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide
CID 42522227
2,2-dimethyl-N-[2-[1-[(2R)-4-methylsulfanylbutan-2-yl]piperidin-4-yl]pyrazol-3-yl]propanamide
CID 42380475
(2R)-N-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
CID 25452567
trans-(1R,2R)-N-(2-cyclobutylpyrazol-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 136587817
[4-(1-aminoethyl)piperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81478205
1-(2-chlorophenyl)-3-[2-(1-propanoylpiperidin-4-yl)pyrazol-3-yl]urea
CID 56747961
1-(2-chlorophenyl)-3-[2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 56744087
2-[1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl]acetic acid
CID 81368111
(4-hydroxy-3-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone
CID 114501442
2,2-dimethyl-N-[2-[1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide
CID 56739428

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]pyrazol-3-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]pyrazol-3-yl]propanamide (CID 42557179) is 2,2-dimethyl-N-[2-[1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]pyrazol-3-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]pyrazol-3-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]pyrazol-3-yl]propanamide is CC(C)(C)C(=O)Nc1ccnn1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1.
What is the InChIKey of 2,2-dimethyl-N-[2-[1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]pyrazol-3-yl]propanamide?
The InChIKey is KLAKZRVZVQEYPJ-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-23(2,3)22(29)25-20-9-12-24-27(20)17-10-13-26(14-11-17)21(28)19-15-18(19)16-7-5-4-6-8-16/h4-9,12,17-19H,10-11,13-15H2,1-3H3,(H,25,29)/t18-,19+/m0/s1.
What are the key properties of 2,2-dimethyl-N-[2-[1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]pyrazol-3-yl]propanamide?
2,2-dimethyl-N-[2-[1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]pyrazol-3-yl]propanamide has a molecular weight of 394.52 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 42557179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).