N-[2-[1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide

C25H32N4O2 — CID 42566213

IUPACN-[2-[1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
SMILESCc1ccc([C@@H](C)CCN2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)o1
InChIInChI=1S/C25H32N4O2/c1-19(23-9-8-20(2)31-23)11-15-28-16-12-22(13-17-28)29-24(10-14-26-29)27-25(30)18-21-6-4-3-5-7-21/h3-10,14,19,22H,11-13,15-18H2,1-2H3,(H,27,30)/t19-/m0/s1
InChIKeyRLHJJUJSCCUUDZ-IBGZPJMESA-N
MW420.56 g/mol
LogP4.80
Rot. Bonds8

About N-[2-[1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide

N-[2-[1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide (PubChem CID 42566213) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[2-[1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
PubChem CID42566213
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN-[2-[1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
SMILESCc1ccc([C@@H](C)CCN2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)o1
InChIInChI=1S/C25H32N4O2/c1-19(23-9-8-20(2)31-23)11-15-28-16-12-22(13-17-28)29-24(10-14-26-29)27-25(30)18-21-6-4-3-5-7-21/h3-10,14,19,22H,11-13,15-18H2,1-2H3,(H,27,30)/t19-/m0/s1
InChIKeyRLHJJUJSCCUUDZ-IBGZPJMESA-N
XLogP4.80
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-[(2R)-5-methylhex-5-en-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
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1-(2-methoxyphenyl)-3-[2-[1-(3-phenylbutyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 45242231
N-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
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CID 44828082
(2R)-2-methoxy-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
CID 26401475
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CID 45195177
2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 24793147
(3R)-N-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 42383376
N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 25369393
N-[2-[1-[(4-hydroxy-3,5-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The IUPAC name of N-[2-[1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide (CID 42566213) is N-[2-[1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[2-[1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide is Cc1ccc([C@@H](C)CCN2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)o1.
What is the InChIKey of N-[2-[1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The InChIKey is RLHJJUJSCCUUDZ-IBGZPJMESA-N. The full InChI is InChI=1S/C25H32N4O2/c1-19(23-9-8-20(2)31-23)11-15-28-16-12-22(13-17-28)29-24(10-14-26-29)27-25(30)18-21-6-4-3-5-7-21/h3-10,14,19,22H,11-13,15-18H2,1-2H3,(H,27,30)/t19-/m0/s1.
What are the key properties of N-[2-[1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
N-[2-[1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide has a molecular weight of 420.56 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide is sourced from PubChem (CID 42566213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).