N-[2-[1-(3-phenyloxolane-3-carbonyl)piperidin-4-yl]ethyl]prop-2-enamide

C21H28N2O3 — CID 154875206

IUPACN-[2-[1-(3-phenyloxolane-3-carbonyl)piperidin-4-yl]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCC1CCN(C(=O)C2(c3ccccc3)CCOC2)CC1
InChIInChI=1S/C21H28N2O3/c1-2-19(24)22-12-8-17-9-13-23(14-10-17)20(25)21(11-15-26-16-21)18-6-4-3-5-7-18/h2-7,17H,1,8-16H2,(H,22,24)
InChIKeyWQWSMRHAYMUGSI-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.28
Rot. Bonds6

About N-[2-[1-(3-phenyloxolane-3-carbonyl)piperidin-4-yl]ethyl]prop-2-enamide

N-[2-[1-(3-phenyloxolane-3-carbonyl)piperidin-4-yl]ethyl]prop-2-enamide (PubChem CID 154875206) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[2-[1-(3-phenyloxolane-3-carbonyl)piperidin-4-yl]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[1-(3-phenyloxolane-3-carbonyl)piperidin-4-yl]ethyl]prop-2-enamide
PubChem CID154875206
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[2-[1-(3-phenyloxolane-3-carbonyl)piperidin-4-yl]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCC1CCN(C(=O)C2(c3ccccc3)CCOC2)CC1
InChIInChI=1S/C21H28N2O3/c1-2-19(24)22-12-8-17-9-13-23(14-10-17)20(25)21(11-15-26-16-21)18-6-4-3-5-7-18/h2-7,17H,1,8-16H2,(H,22,24)
InChIKeyWQWSMRHAYMUGSI-UHFFFAOYSA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.28
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

4-[2-(prop-2-enoylamino)ethyl]piperidine-1-carboxylic acid
CID 90460311
N-(2-fluorophenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide
CID 91903548
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(4-phenyloxan-4-yl)methanone
CID 71785131
[4-(aminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 166001503
(4-phenyloxan-4-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121018084
[4-(methylamino)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119560283
[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 155800929
[4-(isoquinolin-8-ylmethyl)azepan-1-yl]-(4-phenyloxan-4-yl)methanone
CID 110149312
(3-anilinopyrrolidin-1-yl)-[4-(4-bromophenyl)oxan-4-yl]methanone
CID 56580619
(4-phenyloxan-4-yl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone
CID 138002316
N-(3-fluoro-4-methylphenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide
CID 91903717
[4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-methylphenyl)oxan-4-yl]methanone
CID 119623001

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-phenyloxolane-3-carbonyl)piperidin-4-yl]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[1-(3-phenyloxolane-3-carbonyl)piperidin-4-yl]ethyl]prop-2-enamide (CID 154875206) is N-[2-[1-(3-phenyloxolane-3-carbonyl)piperidin-4-yl]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[1-(3-phenyloxolane-3-carbonyl)piperidin-4-yl]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[1-(3-phenyloxolane-3-carbonyl)piperidin-4-yl]ethyl]prop-2-enamide is C=CC(=O)NCCC1CCN(C(=O)C2(c3ccccc3)CCOC2)CC1.
What is the InChIKey of N-[2-[1-(3-phenyloxolane-3-carbonyl)piperidin-4-yl]ethyl]prop-2-enamide?
The InChIKey is WQWSMRHAYMUGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-2-19(24)22-12-8-17-9-13-23(14-10-17)20(25)21(11-15-26-16-21)18-6-4-3-5-7-18/h2-7,17H,1,8-16H2,(H,22,24).
What are the key properties of N-[2-[1-(3-phenyloxolane-3-carbonyl)piperidin-4-yl]ethyl]prop-2-enamide?
N-[2-[1-(3-phenyloxolane-3-carbonyl)piperidin-4-yl]ethyl]prop-2-enamide has a molecular weight of 356.47 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-phenyloxolane-3-carbonyl)piperidin-4-yl]ethyl]prop-2-enamide is sourced from PubChem (CID 154875206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).