(3R)-3-hydroxy-3-phenyl-N-(1-prop-2-enoylpiperidin-4-yl)propanamide

C17H22N2O3 — CID 167839836

IUPAC(3R)-3-hydroxy-3-phenyl-N-(1-prop-2-enoylpiperidin-4-yl)propanamide
SMILESC=CC(=O)N1CCC(NC(=O)C[C@@H](O)c2ccccc2)CC1
InChIInChI=1S/C17H22N2O3/c1-2-17(22)19-10-8-14(9-11-19)18-16(21)12-15(20)13-6-4-3-5-7-13/h2-7,14-15,20H,1,8-12H2,(H,18,21)/t15-/m1/s1
InChIKeyCASLMFNPWGYDIV-OAHLLOKOSA-N
MW302.37 g/mol
LogP1.40
Rot. Bonds5

About (3R)-3-hydroxy-3-phenyl-N-(1-prop-2-enoylpiperidin-4-yl)propanamide

(3R)-3-hydroxy-3-phenyl-N-(1-prop-2-enoylpiperidin-4-yl)propanamide (PubChem CID 167839836) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-phenyl-N-(1-prop-2-enoylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-phenyl-N-(1-prop-2-enoylpiperidin-4-yl)propanamide
PubChem CID167839836
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(3R)-3-hydroxy-3-phenyl-N-(1-prop-2-enoylpiperidin-4-yl)propanamide
SMILESC=CC(=O)N1CCC(NC(=O)C[C@@H](O)c2ccccc2)CC1
InChIInChI=1S/C17H22N2O3/c1-2-17(22)19-10-8-14(9-11-19)18-16(21)12-15(20)13-6-4-3-5-7-13/h2-7,14-15,20H,1,8-12H2,(H,18,21)/t15-/m1/s1
InChIKeyCASLMFNPWGYDIV-OAHLLOKOSA-N
XLogP1.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.40
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

3-amino-3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide
CID 119953733
3-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpropanamide;hydrochloride
CID 119949354
3-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide
CID 43711758
tert-butyl 4-(3,3-diphenylpropanoylamino)piperidine-1-carboxylate
CID 52731291
1-naphthalen-1-yl-3-(1-prop-2-enoylpiperidin-4-yl)urea
CID 166404367
3-amino-3-phenyl-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 119950959
ethyl 4-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoyl]amino]piperidine-1-carboxylate
CID 110413335
3-amino-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 43711347
N-[1-[(2R)-2-amino-2-phenylacetyl]piperidin-4-yl]propanamide
CID 61163953
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-3-phenylpropanamide
CID 46464176
(3S)-N-cyclopentyl-3-phenylbutanamide
CID 697485
2-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-(oxan-4-yl)acetamide
CID 95978154

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-phenyl-N-(1-prop-2-enoylpiperidin-4-yl)propanamide?
The IUPAC name of (3R)-3-hydroxy-3-phenyl-N-(1-prop-2-enoylpiperidin-4-yl)propanamide (CID 167839836) is (3R)-3-hydroxy-3-phenyl-N-(1-prop-2-enoylpiperidin-4-yl)propanamide.
What is the SMILES notation for (3R)-3-hydroxy-3-phenyl-N-(1-prop-2-enoylpiperidin-4-yl)propanamide?
The canonical SMILES for (3R)-3-hydroxy-3-phenyl-N-(1-prop-2-enoylpiperidin-4-yl)propanamide is C=CC(=O)N1CCC(NC(=O)C[C@@H](O)c2ccccc2)CC1.
What is the InChIKey of (3R)-3-hydroxy-3-phenyl-N-(1-prop-2-enoylpiperidin-4-yl)propanamide?
The InChIKey is CASLMFNPWGYDIV-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-2-17(22)19-10-8-14(9-11-19)18-16(21)12-15(20)13-6-4-3-5-7-13/h2-7,14-15,20H,1,8-12H2,(H,18,21)/t15-/m1/s1.
What are the key properties of (3R)-3-hydroxy-3-phenyl-N-(1-prop-2-enoylpiperidin-4-yl)propanamide?
(3R)-3-hydroxy-3-phenyl-N-(1-prop-2-enoylpiperidin-4-yl)propanamide has a molecular weight of 302.37 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-phenyl-N-(1-prop-2-enoylpiperidin-4-yl)propanamide is sourced from PubChem (CID 167839836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).