N-[3-[(E)-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-enyl]phenyl]acetamide

C21H29N3O2 — CID 44535682

IUPACN-[3-[(E)-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-enyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(/C=C/C(=O)N2CCC(N3CCCCC3)CC2)c1
InChIInChI=1S/C21H29N3O2/c1-17(25)22-19-7-5-6-18(16-19)8-9-21(26)24-14-10-20(11-15-24)23-12-3-2-4-13-23/h5-9,16,20H,2-4,10-15H2,1H3,(H,22,25)/b9-8+
InChIKeyXARBEKGYQTYNTA-CMDGGOBGSA-N
MW355.48 g/mol
LogP3.14
Rot. Bonds4

About N-[3-[(E)-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-enyl]phenyl]acetamide

N-[3-[(E)-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-enyl]phenyl]acetamide (PubChem CID 44535682) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[3-[(E)-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-enyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(E)-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-enyl]phenyl]acetamide
PubChem CID44535682
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-[3-[(E)-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-enyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(/C=C/C(=O)N2CCC(N3CCCCC3)CC2)c1
InChIInChI=1S/C21H29N3O2/c1-17(25)22-19-7-5-6-18(16-19)8-9-21(26)24-14-10-20(11-15-24)23-12-3-2-4-13-23/h5-9,16,20H,2-4,10-15H2,1H3,(H,22,25)/b9-8+
InChIKeyXARBEKGYQTYNTA-CMDGGOBGSA-N
XLogP3.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]phenyl]acetamide
CID 36866079
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 38326782
N-[4-[(E)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]phenyl]acetamide
CID 39878522
4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110667169
1-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-N-phenylpiperidine-4-carboxamide
CID 9051294
N-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987867
1-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperidine-4-carboxylic acid
CID 43091920
methyl 1-[3-(3-methylphenyl)prop-2-enoyl]piperidine-4-carboxylate
CID 74873411
4-[(E)-3-(4-acetamidophenyl)prop-2-enoyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 56509036
(E)-1-[4-(4-cyclopentylpiperazine-1-carbonyl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 134020859
(E)-3-(3-methoxy-4-phenylmethoxyphenyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)prop-2-en-1-one
CID 21031155
3-(3-acetamidophenyl)prop-2-enamide
CID 169482180

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-enyl]phenyl]acetamide?
The IUPAC name of N-[3-[(E)-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-enyl]phenyl]acetamide (CID 44535682) is N-[3-[(E)-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-enyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(E)-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-enyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(E)-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-enyl]phenyl]acetamide is CC(=O)Nc1cccc(/C=C/C(=O)N2CCC(N3CCCCC3)CC2)c1.
What is the InChIKey of N-[3-[(E)-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-enyl]phenyl]acetamide?
The InChIKey is XARBEKGYQTYNTA-CMDGGOBGSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-17(25)22-19-7-5-6-18(16-19)8-9-21(26)24-14-10-20(11-15-24)23-12-3-2-4-13-23/h5-9,16,20H,2-4,10-15H2,1H3,(H,22,25)/b9-8+.
What are the key properties of N-[3-[(E)-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-enyl]phenyl]acetamide?
N-[3-[(E)-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-enyl]phenyl]acetamide has a molecular weight of 355.48 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-enyl]phenyl]acetamide is sourced from PubChem (CID 44535682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).