(E)-N-[(1S,2S,4S)-4-(4-fluoropiperidine-1-carbonyl)-2-hydroxycyclopentyl]-3-phenylprop-2-enamide

C20H25FN2O3 — CID 165425002

IUPAC(E)-N-[(1S,2S,4S)-4-(4-fluoropiperidine-1-carbonyl)-2-hydroxycyclopentyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N[C@H]1C[C@H](C(=O)N2CCC(F)CC2)C[C@@H]1O
InChIInChI=1S/C20H25FN2O3/c21-16-8-10-23(11-9-16)20(26)15-12-17(18(24)13-15)22-19(25)7-6-14-4-2-1-3-5-14/h1-7,15-18,24H,8-13H2,(H,22,25)/b7-6+/t15-,17-,18-/m0/s1
InChIKeyPPRMNYQZCYQTMF-AMGAKCQWSA-N
MW360.43 g/mol
LogP1.92
Rot. Bonds4

About (E)-N-[(1S,2S,4S)-4-(4-fluoropiperidine-1-carbonyl)-2-hydroxycyclopentyl]-3-phenylprop-2-enamide

(E)-N-[(1S,2S,4S)-4-(4-fluoropiperidine-1-carbonyl)-2-hydroxycyclopentyl]-3-phenylprop-2-enamide (PubChem CID 165425002) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is (E)-N-[(1S,2S,4S)-4-(4-fluoropiperidine-1-carbonyl)-2-hydroxycyclopentyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1S,2S,4S)-4-(4-fluoropiperidine-1-carbonyl)-2-hydroxycyclopentyl]-3-phenylprop-2-enamide
PubChem CID165425002
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name(E)-N-[(1S,2S,4S)-4-(4-fluoropiperidine-1-carbonyl)-2-hydroxycyclopentyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N[C@H]1C[C@H](C(=O)N2CCC(F)CC2)C[C@@H]1O
InChIInChI=1S/C20H25FN2O3/c21-16-8-10-23(11-9-16)20(26)15-12-17(18(24)13-15)22-19(25)7-6-14-4-2-1-3-5-14/h1-7,15-18,24H,8-13H2,(H,22,25)/b7-6+/t15-,17-,18-/m0/s1
InChIKeyPPRMNYQZCYQTMF-AMGAKCQWSA-N
XLogP1.92
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 1334632
N-[(3R,4S)-1-(cyclopent-3-ene-1-carbonyl)-3-ethylpiperidin-4-yl]-3-phenylprop-2-enamide
CID 171321956
(E)-3-phenyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]prop-2-enamide
CID 127179670
(E)-N-(2-hydroxycyclohexyl)-3-phenylprop-2-enamide
CID 14965451
(E)-N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-3-phenylprop-2-enamide
CID 138380557
(E)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide
CID 108563408
(E)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3-phenylprop-2-enamide
CID 108566021
3-(3-phenylprop-2-enoylamino)cyclopentane-1-carboxylic acid
CID 77110063
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 55691057
(E)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 46540248
(1S,3S,4S)-N-[(1-ethylimidazol-4-yl)methyl]-3-hydroxy-4-[[(E)-3-phenylprop-2-enoyl]amino]cyclopentane-1-carboxamide
CID 155919172
(E)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 26773682

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1S,2S,4S)-4-(4-fluoropiperidine-1-carbonyl)-2-hydroxycyclopentyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(1S,2S,4S)-4-(4-fluoropiperidine-1-carbonyl)-2-hydroxycyclopentyl]-3-phenylprop-2-enamide (CID 165425002) is (E)-N-[(1S,2S,4S)-4-(4-fluoropiperidine-1-carbonyl)-2-hydroxycyclopentyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(1S,2S,4S)-4-(4-fluoropiperidine-1-carbonyl)-2-hydroxycyclopentyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(1S,2S,4S)-4-(4-fluoropiperidine-1-carbonyl)-2-hydroxycyclopentyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)N[C@H]1C[C@H](C(=O)N2CCC(F)CC2)C[C@@H]1O.
What is the InChIKey of (E)-N-[(1S,2S,4S)-4-(4-fluoropiperidine-1-carbonyl)-2-hydroxycyclopentyl]-3-phenylprop-2-enamide?
The InChIKey is PPRMNYQZCYQTMF-AMGAKCQWSA-N. The full InChI is InChI=1S/C20H25FN2O3/c21-16-8-10-23(11-9-16)20(26)15-12-17(18(24)13-15)22-19(25)7-6-14-4-2-1-3-5-14/h1-7,15-18,24H,8-13H2,(H,22,25)/b7-6+/t15-,17-,18-/m0/s1.
What are the key properties of (E)-N-[(1S,2S,4S)-4-(4-fluoropiperidine-1-carbonyl)-2-hydroxycyclopentyl]-3-phenylprop-2-enamide?
(E)-N-[(1S,2S,4S)-4-(4-fluoropiperidine-1-carbonyl)-2-hydroxycyclopentyl]-3-phenylprop-2-enamide has a molecular weight of 360.43 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1S,2S,4S)-4-(4-fluoropiperidine-1-carbonyl)-2-hydroxycyclopentyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 165425002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).