(E)-3-phenyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]prop-2-enamide

C19H25N3O2 — CID 127179670

IUPAC(E)-3-phenyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NC1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C19H25N3O2/c23-18(9-8-16-6-2-1-3-7-16)20-17-10-14-22(15-11-17)19(24)21-12-4-5-13-21/h1-3,6-9,17H,4-5,10-15H2,(H,20,23)/b9-8+
InChIKeyTYJCHGWMMHESMC-CMDGGOBGSA-N
MW327.43 g/mol
LogP2.50
Rot. Bonds3

About (E)-3-phenyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]prop-2-enamide

(E)-3-phenyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]prop-2-enamide (PubChem CID 127179670) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (E)-3-phenyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]prop-2-enamide
PubChem CID127179670
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(E)-3-phenyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NC1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C19H25N3O2/c23-18(9-8-16-6-2-1-3-7-16)20-17-10-14-22(15-11-17)19(24)21-12-4-5-13-21/h1-3,6-9,17H,4-5,10-15H2,(H,20,23)/b9-8+
InChIKeyTYJCHGWMMHESMC-CMDGGOBGSA-N
XLogP2.50
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide
CID 108563408
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
(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
(E)-N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide
CID 108566451
(E)-N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide
CID 108564948
(E)-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]-3-phenylprop-2-enamide
CID 42682841
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 55691057
(E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 1334632
N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26693864
N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 71901761
N-(1-acetylpiperidin-4-yl)-3-(3-fluorophenyl)prop-2-enamide
CID 71901760

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]prop-2-enamide (CID 127179670) is (E)-3-phenyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]prop-2-enamide is O=C(/C=C/c1ccccc1)NC1CCN(C(=O)N2CCCC2)CC1.
What is the InChIKey of (E)-3-phenyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]prop-2-enamide?
The InChIKey is TYJCHGWMMHESMC-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-18(9-8-16-6-2-1-3-7-16)20-17-10-14-22(15-11-17)19(24)21-12-4-5-13-21/h1-3,6-9,17H,4-5,10-15H2,(H,20,23)/b9-8+.
What are the key properties of (E)-3-phenyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]prop-2-enamide?
(E)-3-phenyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]prop-2-enamide has a molecular weight of 327.43 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]prop-2-enamide is sourced from PubChem (CID 127179670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).