(E)-3-(3-chlorophenyl)-N-(2-piperidin-1-ylethyl)prop-2-enamide

C16H21ClN2O — CID 47209384

IUPAC(E)-3-(3-chlorophenyl)-N-(2-piperidin-1-ylethyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Cl)c1)NCCN1CCCCC1
InChIInChI=1S/C16H21ClN2O/c17-15-6-4-5-14(13-15)7-8-16(20)18-9-12-19-10-2-1-3-11-19/h4-8,13H,1-3,9-12H2,(H,18,20)/b8-7+
InChIKeyDJKYTDSVXIEYFI-BQYQJAHWSA-N
MW292.81 g/mol
LogP2.96
Rot. Bonds5

About (E)-3-(3-chlorophenyl)-N-(2-piperidin-1-ylethyl)prop-2-enamide

(E)-3-(3-chlorophenyl)-N-(2-piperidin-1-ylethyl)prop-2-enamide (PubChem CID 47209384) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is (E)-3-(3-chlorophenyl)-N-(2-piperidin-1-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chlorophenyl)-N-(2-piperidin-1-ylethyl)prop-2-enamide
PubChem CID47209384
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name(E)-3-(3-chlorophenyl)-N-(2-piperidin-1-ylethyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Cl)c1)NCCN1CCCCC1
InChIInChI=1S/C16H21ClN2O/c17-15-6-4-5-14(13-15)7-8-16(20)18-9-12-19-10-2-1-3-11-19/h4-8,13H,1-3,9-12H2,(H,18,20)/b8-7+
InChIKeyDJKYTDSVXIEYFI-BQYQJAHWSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.96
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

3-(3-chlorophenyl)-N-[3-[4-[3-[3-(3-chlorophenyl)prop-2-enoylamino]propyl]piperazin-1-yl]propyl]prop-2-enamide
CID 3586028
(E)-3-(3-chlorophenyl)-N-[7-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]heptyl]prop-2-enamide
CID 6167041
(E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)prop-2-enamide
CID 110440064
(E)-3-(3-aminophenyl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 115342775
(E)-3-(3-methoxyphenyl)-N-(4-pyrrolidin-1-ylbutyl)prop-2-enamide
CID 27397147
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
4-[3-(3-chlorophenyl)prop-2-enoylamino]butanoic acid
CID 74868291
(E)-3-(3-chlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide
CID 108750521
(E)-3-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 43600248
3-(3-chlorophenyl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
CID 77021946
N-[2-(azepan-1-yl)ethyl]-3-(2-fluorophenyl)prop-2-enamide
CID 123154586
(E)-3-(3-chlorophenyl)-N-(2-chloroprop-2-enyl)prop-2-enamide
CID 115636575

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chlorophenyl)-N-(2-piperidin-1-ylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-chlorophenyl)-N-(2-piperidin-1-ylethyl)prop-2-enamide (CID 47209384) is (E)-3-(3-chlorophenyl)-N-(2-piperidin-1-ylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-chlorophenyl)-N-(2-piperidin-1-ylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-chlorophenyl)-N-(2-piperidin-1-ylethyl)prop-2-enamide is O=C(/C=C/c1cccc(Cl)c1)NCCN1CCCCC1.
What is the InChIKey of (E)-3-(3-chlorophenyl)-N-(2-piperidin-1-ylethyl)prop-2-enamide?
The InChIKey is DJKYTDSVXIEYFI-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H21ClN2O/c17-15-6-4-5-14(13-15)7-8-16(20)18-9-12-19-10-2-1-3-11-19/h4-8,13H,1-3,9-12H2,(H,18,20)/b8-7+.
What are the key properties of (E)-3-(3-chlorophenyl)-N-(2-piperidin-1-ylethyl)prop-2-enamide?
(E)-3-(3-chlorophenyl)-N-(2-piperidin-1-ylethyl)prop-2-enamide has a molecular weight of 292.81 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chlorophenyl)-N-(2-piperidin-1-ylethyl)prop-2-enamide is sourced from PubChem (CID 47209384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).