N-[2-[1-[(2R)-5-methylhex-5-en-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide

C23H32N4O — CID 25364242

IUPACN-[2-[1-[(2R)-5-methylhex-5-en-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
SMILESC=C(C)CC[C@@H](C)N1CCC(n2nccc2NC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C23H32N4O/c1-18(2)9-10-19(3)26-15-12-21(13-16-26)27-22(11-14-24-27)25-23(28)17-20-7-5-4-6-8-20/h4-8,11,14,19,21H,1,9-10,12-13,15-17H2,2-3H3,(H,25,28)/t19-/m1/s1
InChIKeyQCNBWVVKGVLCHM-LJQANCHMSA-N
MW380.54 g/mol
LogP4.45
Rot. Bonds8

About N-[2-[1-[(2R)-5-methylhex-5-en-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide

N-[2-[1-[(2R)-5-methylhex-5-en-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide (PubChem CID 25364242) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is N-[2-[1-[(2R)-5-methylhex-5-en-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[1-[(2R)-5-methylhex-5-en-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
PubChem CID25364242
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC NameN-[2-[1-[(2R)-5-methylhex-5-en-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
SMILESC=C(C)CC[C@@H](C)N1CCC(n2nccc2NC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C23H32N4O/c1-18(2)9-10-19(3)26-15-12-21(13-16-26)27-22(11-14-24-27)25-23(28)17-20-7-5-4-6-8-20/h4-8,11,14,19,21H,1,9-10,12-13,15-17H2,2-3H3,(H,25,28)/t19-/m1/s1
InChIKeyQCNBWVVKGVLCHM-LJQANCHMSA-N
XLogP4.45
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-N-[2-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide
CID 26326222
4-phenyl-N-[2-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide
CID 45216230
N-[2-[1-(4-methyl-4-methylsulfanylpentan-2-yl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 45241923
N-[2-[1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
CID 42566213
3-methyl-N-[2-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide
CID 25453298
N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
CID 25455004
N-[2-[1-(2-methylsulfanylacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 24791135
N-[2-[1-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
CID 25452856
2,2-dimethyl-N-[2-[1-[(2R)-4-methylsulfanylbutan-2-yl]piperidin-4-yl]pyrazol-3-yl]propanamide
CID 42380475
1-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 45210433
N-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
CID 24819374
N-[2-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 56748004

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2R)-5-methylhex-5-en-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The IUPAC name of N-[2-[1-[(2R)-5-methylhex-5-en-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide (CID 25364242) is N-[2-[1-[(2R)-5-methylhex-5-en-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[1-[(2R)-5-methylhex-5-en-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[2-[1-[(2R)-5-methylhex-5-en-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide is C=C(C)CC[C@@H](C)N1CCC(n2nccc2NC(=O)Cc2ccccc2)CC1.
What is the InChIKey of N-[2-[1-[(2R)-5-methylhex-5-en-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The InChIKey is QCNBWVVKGVLCHM-LJQANCHMSA-N. The full InChI is InChI=1S/C23H32N4O/c1-18(2)9-10-19(3)26-15-12-21(13-16-26)27-22(11-14-24-27)25-23(28)17-20-7-5-4-6-8-20/h4-8,11,14,19,21H,1,9-10,12-13,15-17H2,2-3H3,(H,25,28)/t19-/m1/s1.
What are the key properties of N-[2-[1-[(2R)-5-methylhex-5-en-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
N-[2-[1-[(2R)-5-methylhex-5-en-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide has a molecular weight of 380.54 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2R)-5-methylhex-5-en-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide is sourced from PubChem (CID 25364242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).