(E)-3-(2-chloro-4-piperidin-1-ylphenyl)prop-2-enamide

C14H17ClN2O — CID 170877760

IUPAC(E)-3-(2-chloro-4-piperidin-1-ylphenyl)prop-2-enamide
SMILESNC(=O)/C=C/c1ccc(N2CCCCC2)cc1Cl
InChIInChI=1S/C14H17ClN2O/c15-13-10-12(17-8-2-1-3-9-17)6-4-11(13)5-7-14(16)18/h4-7,10H,1-3,8-9H2,(H2,16,18)/b7-5+
InChIKeyNJZFBCURJBIWDU-FNORWQNLSA-N
MW264.76 g/mol
LogP2.83
Rot. Bonds3

About (E)-3-(2-chloro-4-piperidin-1-ylphenyl)prop-2-enamide

(E)-3-(2-chloro-4-piperidin-1-ylphenyl)prop-2-enamide (PubChem CID 170877760) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is (E)-3-(2-chloro-4-piperidin-1-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chloro-4-piperidin-1-ylphenyl)prop-2-enamide
PubChem CID170877760
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name(E)-3-(2-chloro-4-piperidin-1-ylphenyl)prop-2-enamide
SMILESNC(=O)/C=C/c1ccc(N2CCCCC2)cc1Cl
InChIInChI=1S/C14H17ClN2O/c15-13-10-12(17-8-2-1-3-9-17)6-4-11(13)5-7-14(16)18/h4-7,10H,1-3,8-9H2,(H2,16,18)/b7-5+
InChIKeyNJZFBCURJBIWDU-FNORWQNLSA-N
XLogP2.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-piperidin-1-ylbenzaldehyde;hydrochloride
CID 44890760
2-chloro-4-pyrrolidin-1-ylbenzaldehyde
CID 7148620
(E)-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 170878130
(Z)-3-(3-chloro-4-piperidin-1-ylphenyl)prop-2-enamide
CID 170877762
4-(azocan-1-yl)-2-chlorobenzenecarbothioamide
CID 62947615
(Z)-3-(3,5-dichloro-4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 170877783
(E)-3-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide
CID 100508734
(E)-3-[4-(4-benzylpiperazin-1-yl)-2-bromophenyl]prop-2-enamide
CID 170878040
3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]prop-2-enamide
CID 175912283
N-(3-chloro-4-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 3449576
3-[2-chloro-4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 169482535
N-(3-chloro-2-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 4590668

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chloro-4-piperidin-1-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-chloro-4-piperidin-1-ylphenyl)prop-2-enamide (CID 170877760) is (E)-3-(2-chloro-4-piperidin-1-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chloro-4-piperidin-1-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-chloro-4-piperidin-1-ylphenyl)prop-2-enamide is NC(=O)/C=C/c1ccc(N2CCCCC2)cc1Cl.
What is the InChIKey of (E)-3-(2-chloro-4-piperidin-1-ylphenyl)prop-2-enamide?
The InChIKey is NJZFBCURJBIWDU-FNORWQNLSA-N. The full InChI is InChI=1S/C14H17ClN2O/c15-13-10-12(17-8-2-1-3-9-17)6-4-11(13)5-7-14(16)18/h4-7,10H,1-3,8-9H2,(H2,16,18)/b7-5+.
What are the key properties of (E)-3-(2-chloro-4-piperidin-1-ylphenyl)prop-2-enamide?
(E)-3-(2-chloro-4-piperidin-1-ylphenyl)prop-2-enamide has a molecular weight of 264.76 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chloro-4-piperidin-1-ylphenyl)prop-2-enamide is sourced from PubChem (CID 170877760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).