(Z)-but-2-enedioate;N-(4-cyclopentylphenyl)-N-ethyl-2-piperidin-1-ylacetamide

C24H32N2O5-2 — CID 20841031

IUPAC(Z)-but-2-enedioate;N-(4-cyclopentylphenyl)-N-ethyl-2-piperidin-1-ylacetamide
SMILESCCN(C(=O)CN1CCCCC1)c1ccc(C2CCCC2)cc1.O=C([O-])/C=C\C(=O)[O-]
InChIInChI=1S/C20H30N2O.C4H4O4/c1-2-22(20(23)16-21-14-6-3-7-15-21)19-12-10-18(11-13-19)17-8-4-5-9-17;5-3(6)1-2-4(7)8/h10-13,17H,2-9,14-16H2,1H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1-
InChIKeyHVOUTEKBDWSIRW-BTJKTKAUSA-L
MW428.53 g/mol
LogP1.23
Rot. Bonds7

About (Z)-but-2-enedioate;N-(4-cyclopentylphenyl)-N-ethyl-2-piperidin-1-ylacetamide

(Z)-but-2-enedioate;N-(4-cyclopentylphenyl)-N-ethyl-2-piperidin-1-ylacetamide (PubChem CID 20841031) has the molecular formula C24H32N2O5-2 and a molecular weight of 428.53 g/mol. Its IUPAC name is (Z)-but-2-enedioate;N-(4-cyclopentylphenyl)-N-ethyl-2-piperidin-1-ylacetamide.

Molecular Properties

Compound Name(Z)-but-2-enedioate;N-(4-cyclopentylphenyl)-N-ethyl-2-piperidin-1-ylacetamide
PubChem CID20841031
Molecular FormulaC24H32N2O5-2
Molecular Weight428.53 g/mol
Exact Mass428.23
IUPAC Name(Z)-but-2-enedioate;N-(4-cyclopentylphenyl)-N-ethyl-2-piperidin-1-ylacetamide
SMILESCCN(C(=O)CN1CCCCC1)c1ccc(C2CCCC2)cc1.O=C([O-])/C=C\C(=O)[O-]
InChIInChI=1S/C20H30N2O.C4H4O4/c1-2-22(20(23)16-21-14-6-3-7-15-21)19-12-10-18(11-13-19)17-8-4-5-9-17;5-3(6)1-2-4(7)8/h10-13,17H,2-9,14-16H2,1H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1-
InChIKeyHVOUTEKBDWSIRW-BTJKTKAUSA-L
XLogP1.23
TPSA103.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis((Z)-but-2-enedioate);1-(4-cyclopentylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 20838508
N-[(1S)-1-(4-cyclopentylphenyl)ethyl]-N-methyl-2-piperidin-1-ylacetamide
CID 92968552
4-[(3S)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]benzoic acid
CID 97210621
N-ethyl-2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-phenylacetamide
CID 51116457
2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 106672010
N-(1-benzylpiperidin-4-yl)-N-(4-cyclohexylphenyl)propanamide
CID 90316604
2-[(N-(2-chloroacetyl)-4-cyclohexylanilino)methyl]-3,3-dimethylbutanoic acid
CID 23371172
2-[3-(1-aminoethyl)piperidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride
CID 119925384
2-[(3S)-3-aminopyrrolidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride
CID 119933615
2-(3-aminoazetidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 65249736
N-ethyl-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-phenylacetamide
CID 60690329
N-ethyl-N-phenylcyclohexanecarboxamide
CID 3884538

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioate;N-(4-cyclopentylphenyl)-N-ethyl-2-piperidin-1-ylacetamide?
The IUPAC name of (Z)-but-2-enedioate;N-(4-cyclopentylphenyl)-N-ethyl-2-piperidin-1-ylacetamide (CID 20841031) is (Z)-but-2-enedioate;N-(4-cyclopentylphenyl)-N-ethyl-2-piperidin-1-ylacetamide.
What is the SMILES notation for (Z)-but-2-enedioate;N-(4-cyclopentylphenyl)-N-ethyl-2-piperidin-1-ylacetamide?
The canonical SMILES for (Z)-but-2-enedioate;N-(4-cyclopentylphenyl)-N-ethyl-2-piperidin-1-ylacetamide is CCN(C(=O)CN1CCCCC1)c1ccc(C2CCCC2)cc1.O=C([O-])/C=C\C(=O)[O-].
What is the InChIKey of (Z)-but-2-enedioate;N-(4-cyclopentylphenyl)-N-ethyl-2-piperidin-1-ylacetamide?
The InChIKey is HVOUTEKBDWSIRW-BTJKTKAUSA-L. The full InChI is InChI=1S/C20H30N2O.C4H4O4/c1-2-22(20(23)16-21-14-6-3-7-15-21)19-12-10-18(11-13-19)17-8-4-5-9-17;5-3(6)1-2-4(7)8/h10-13,17H,2-9,14-16H2,1H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1-.
What are the key properties of (Z)-but-2-enedioate;N-(4-cyclopentylphenyl)-N-ethyl-2-piperidin-1-ylacetamide?
(Z)-but-2-enedioate;N-(4-cyclopentylphenyl)-N-ethyl-2-piperidin-1-ylacetamide has a molecular weight of 428.53 g/mol, XLogP of 1.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioate;N-(4-cyclopentylphenyl)-N-ethyl-2-piperidin-1-ylacetamide is sourced from PubChem (CID 20841031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).