N-[1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperidin-3-yl]propanamide

C17H21ClN2O2 — CID 51101463

IUPACN-[1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperidin-3-yl]propanamide
SMILESCCC(=O)NC1CCCN(C(=O)/C=C/c2cccc(Cl)c2)C1
InChIInChI=1S/C17H21ClN2O2/c1-2-16(21)19-15-7-4-10-20(12-15)17(22)9-8-13-5-3-6-14(18)11-13/h3,5-6,8-9,11,15H,2,4,7,10,12H2,1H3,(H,19,21)/b9-8+
InChIKeyACTSJGSVYJGZOM-CMDGGOBGSA-N
MW320.82 g/mol
LogP2.87
Rot. Bonds4

About N-[1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperidin-3-yl]propanamide

N-[1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperidin-3-yl]propanamide (PubChem CID 51101463) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is N-[1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperidin-3-yl]propanamide
PubChem CID51101463
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC NameN-[1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperidin-3-yl]propanamide
SMILESCCC(=O)NC1CCCN(C(=O)/C=C/c2cccc(Cl)c2)C1
InChIInChI=1S/C17H21ClN2O2/c1-2-16(21)19-15-7-4-10-20(12-15)17(22)9-8-13-5-3-6-14(18)11-13/h3,5-6,8-9,11,15H,2,4,7,10,12H2,1H3,(H,19,21)/b9-8+
InChIKeyACTSJGSVYJGZOM-CMDGGOBGSA-N
XLogP2.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.87
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

N-[(3S)-1-[(Z)-3-(3-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide
CID 97455074
2-[4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 31426573
3-(3-chlorophenyl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one
CID 4220867
ethyl N-[(3R)-1-[(E)-3-(3-nitrophenyl)prop-2-enoyl]piperidin-3-yl]carbamate
CID 94140903
(E)-1-(3-anilinopiperidin-1-yl)-3-(3-hydroxyphenyl)prop-2-en-1-one
CID 75475815
N-[(3R)-1-[(Z)-3-(4-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide
CID 97455118
3-(3-chlorophenyl)-1-piperazin-1-ylprop-2-en-1-one
CID 54135862
(E)-1-(3-hydroxypiperidin-1-yl)-3-(3-methylphenyl)prop-2-en-1-one
CID 43415765
N-[(3R)-1-(2-pyridin-4-ylacetyl)piperidin-3-yl]propanamide
CID 95635726
N-[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]propanamide
CID 56795097
(Z)-3-(3-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 93012407
(E)-3-(3-chlorophenyl)-1-[(2S,5R)-4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one
CID 6554479

Frequently Asked Questions

What is the IUPAC name of N-[1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperidin-3-yl]propanamide?
The IUPAC name of N-[1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperidin-3-yl]propanamide (CID 51101463) is N-[1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-[1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-[1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperidin-3-yl]propanamide is CCC(=O)NC1CCCN(C(=O)/C=C/c2cccc(Cl)c2)C1.
What is the InChIKey of N-[1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperidin-3-yl]propanamide?
The InChIKey is ACTSJGSVYJGZOM-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c1-2-16(21)19-15-7-4-10-20(12-15)17(22)9-8-13-5-3-6-14(18)11-13/h3,5-6,8-9,11,15H,2,4,7,10,12H2,1H3,(H,19,21)/b9-8+.
What are the key properties of N-[1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperidin-3-yl]propanamide?
N-[1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperidin-3-yl]propanamide has a molecular weight of 320.82 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 51101463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).