N-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]oxolane-2-carboxamide

C19H28N2O3 — CID 82260265

IUPACN-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]oxolane-2-carboxamide
SMILESCCOc1cc(CC2CCNCC2)ccc1NC(=O)C1CCCO1
InChIInChI=1S/C19H28N2O3/c1-2-23-18-13-15(12-14-7-9-20-10-8-14)5-6-16(18)21-19(22)17-4-3-11-24-17/h5-6,13-14,17,20H,2-4,7-12H2,1H3,(H,21,22)
InChIKeyTUFXIKKHSPVXMK-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.74
Rot. Bonds6

About N-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]oxolane-2-carboxamide

N-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]oxolane-2-carboxamide (PubChem CID 82260265) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]oxolane-2-carboxamide
PubChem CID82260265
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]oxolane-2-carboxamide
SMILESCCOc1cc(CC2CCNCC2)ccc1NC(=O)C1CCCO1
InChIInChI=1S/C19H28N2O3/c1-2-23-18-13-15(12-14-7-9-20-10-8-14)5-6-16(18)21-19(22)17-4-3-11-24-17/h5-6,13-14,17,20H,2-4,7-12H2,1H3,(H,21,22)
InChIKeyTUFXIKKHSPVXMK-UHFFFAOYSA-N
XLogP2.74
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]butanamide
CID 82260260
5-[3-ethoxy-4-(oxolane-2-carbonylamino)phenyl]pentanoic acid
CID 82260210
N-[4-(piperidin-4-ylmethyl)phenyl]oxolane-2-carboxamide
CID 82260254
(2S)-N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]oxolane-2-carboxamide
CID 1138798
(2S)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]oxolane-2-carboxamide
CID 93441465
(2S)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide
CID 32608102
N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42943946
4-[(4-ethoxy-3-fluorophenyl)methyl]piperidine
CID 82291965
ethyl N-[2-methoxy-4-(oxolane-2-carbonylamino)phenyl]carbamate
CID 5305676
(2S)-N'-(3,4-diethoxybenzoyl)oxolane-2-carbohydrazide
CID 912755
(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7926588
5-[(2-ethoxy-4-methylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687855

Frequently Asked Questions

What is the IUPAC name of N-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]oxolane-2-carboxamide (CID 82260265) is N-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]oxolane-2-carboxamide is CCOc1cc(CC2CCNCC2)ccc1NC(=O)C1CCCO1.
What is the InChIKey of N-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]oxolane-2-carboxamide?
The InChIKey is TUFXIKKHSPVXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-2-23-18-13-15(12-14-7-9-20-10-8-14)5-6-16(18)21-19(22)17-4-3-11-24-17/h5-6,13-14,17,20H,2-4,7-12H2,1H3,(H,21,22).
What are the key properties of N-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]oxolane-2-carboxamide?
N-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]oxolane-2-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 82260265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).