(3R)-N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide

C24H30FN5O2 — CID 95850259

IUPAC(3R)-N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCN1C[C@H](C(=O)NC2CCN(Cc3cc(-c4ccccc4F)nn3C)CC2)CC1=O
InChIInChI=1S/C24H30FN5O2/c1-3-10-30-15-17(13-23(30)31)24(32)26-18-8-11-29(12-9-18)16-19-14-22(27-28(19)2)20-6-4-5-7-21(20)25/h3-7,14,17-18H,1,8-13,15-16H2,2H3,(H,26,32)/t17-/m1/s1
InChIKeyNNYFRSALGNBGNQ-QGZVFWFLSA-N
MW439.54 g/mol
LogP2.34
Rot. Bonds7

About (3R)-N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide

(3R)-N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide (PubChem CID 95850259) has the molecular formula C24H30FN5O2 and a molecular weight of 439.54 g/mol. Its IUPAC name is (3R)-N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
PubChem CID95850259
Molecular FormulaC24H30FN5O2
Molecular Weight439.54 g/mol
Exact Mass439.24
IUPAC Name(3R)-N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCN1C[C@H](C(=O)NC2CCN(Cc3cc(-c4ccccc4F)nn3C)CC2)CC1=O
InChIInChI=1S/C24H30FN5O2/c1-3-10-30-15-17(13-23(30)31)24(32)26-18-8-11-29(12-9-18)16-19-14-22(27-28(19)2)20-6-4-5-7-21(20)25/h3-7,14,17-18H,1,8-13,15-16H2,2H3,(H,26,32)/t17-/m1/s1
InChIKeyNNYFRSALGNBGNQ-QGZVFWFLSA-N
XLogP2.34
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2-morpholin-4-ylpropanamide
CID 110217989
formic acid;2-[4-[(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)amino]piperidin-1-yl]acetic acid
CID 154912573
N-(1-benzylpiperidin-4-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 53181864
N-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42656174
(3S)-N-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 39354010
5-oxo-1-prop-2-enyl-N-[1-(thian-4-yl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 131912773
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55960560
N-(1-benzylpiperidin-4-yl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 108800210
1-[2-(dimethylamino)ethyl]-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 131947303
(3R)-5-oxo-N-[(1S,6S,7R,8S)-8-phenyl-7-bicyclo[4.2.0]octanyl]-1-prop-2-enylpyrrolidine-3-carboxamide
CID 92548302
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 49074173
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55958505

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide (CID 95850259) is (3R)-N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide is C=CCN1C[C@H](C(=O)NC2CCN(Cc3cc(-c4ccccc4F)nn3C)CC2)CC1=O.
What is the InChIKey of (3R)-N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide?
The InChIKey is NNYFRSALGNBGNQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H30FN5O2/c1-3-10-30-15-17(13-23(30)31)24(32)26-18-8-11-29(12-9-18)16-19-14-22(27-28(19)2)20-6-4-5-7-21(20)25/h3-7,14,17-18H,1,8-13,15-16H2,2H3,(H,26,32)/t17-/m1/s1.
What are the key properties of (3R)-N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide?
(3R)-N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide is sourced from PubChem (CID 95850259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).