(E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)prop-2-enamide

C18H25ClN2O — CID 110440064

IUPAC(E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)NCCCCN1CCCCC1
InChIInChI=1S/C18H25ClN2O/c19-17-9-6-16(7-10-17)8-11-18(22)20-12-2-5-15-21-13-3-1-4-14-21/h6-11H,1-5,12-15H2,(H,20,22)/b11-8+
InChIKeySTWDNPAHQHMTNM-DHZHZOJOSA-N
MW320.86 g/mol
LogP3.74
Rot. Bonds7

About (E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)prop-2-enamide

(E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)prop-2-enamide (PubChem CID 110440064) has the molecular formula C18H25ClN2O and a molecular weight of 320.86 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)prop-2-enamide
PubChem CID110440064
Molecular FormulaC18H25ClN2O
Molecular Weight320.86 g/mol
Exact Mass320.17
IUPAC Name(E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)NCCCCN1CCCCC1
InChIInChI=1S/C18H25ClN2O/c19-17-9-6-16(7-10-17)8-11-18(22)20-12-2-5-15-21-13-3-1-4-14-21/h6-11H,1-5,12-15H2,(H,20,22)/b11-8+
InChIKeySTWDNPAHQHMTNM-DHZHZOJOSA-N
XLogP3.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-chlorophenyl)-N-[3-[4-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide
CID 6034169
(E)-3-(4-chlorophenyl)-N-(3-piperazin-1-ylpropyl)prop-2-enamide
CID 43443260
(E)-3-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]prop-2-enamide
CID 110440061
(E)-3-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 43600248
(E)-3-(3-chlorophenyl)-N-(2-piperidin-1-ylethyl)prop-2-enamide
CID 47209384
(E)-3-(4-chlorophenyl)-N-[5-[4-[3-(3,4-dichlorophenyl)prop-2-enoyl]piperazin-1-yl]pentyl]prop-2-enamide
CID 44529356
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-(4-chlorophenyl)-N-undecylprop-2-enamide
CID 6006406
3-(4-chlorophenyl)-N-decylprop-2-enamide
CID 4172877
(E)-3-(4-chlorophenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]prop-2-enamide
CID 39993399
(E)-3-(4-chlorophenyl)-N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]prop-2-enamide
CID 82163347
(E)-3-(2-aminopyrimidin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 131921982

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)prop-2-enamide (CID 110440064) is (E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1)NCCCCN1CCCCC1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)prop-2-enamide?
The InChIKey is STWDNPAHQHMTNM-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H25ClN2O/c19-17-9-6-16(7-10-17)8-11-18(22)20-12-2-5-15-21-13-3-1-4-14-21/h6-11H,1-5,12-15H2,(H,20,22)/b11-8+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)prop-2-enamide has a molecular weight of 320.86 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)prop-2-enamide is sourced from PubChem (CID 110440064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).