N-(3-methoxyphenyl)-3-[1-[(2S)-oxane-2-carbonyl]piperidin-4-yl]propanamide

C21H30N2O4 — CID 97283369

IUPACN-(3-methoxyphenyl)-3-[1-[(2S)-oxane-2-carbonyl]piperidin-4-yl]propanamide
SMILESCOc1cccc(NC(=O)CCC2CCN(C(=O)[C@@H]3CCCCO3)CC2)c1
InChIInChI=1S/C21H30N2O4/c1-26-18-6-4-5-17(15-18)22-20(24)9-8-16-10-12-23(13-11-16)21(25)19-7-2-3-14-27-19/h4-6,15-16,19H,2-3,7-14H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyMFFGWYGECYCSSE-IBGZPJMESA-N
MW374.48 g/mol
LogP3.22
Rot. Bonds6

About N-(3-methoxyphenyl)-3-[1-[(2S)-oxane-2-carbonyl]piperidin-4-yl]propanamide

N-(3-methoxyphenyl)-3-[1-[(2S)-oxane-2-carbonyl]piperidin-4-yl]propanamide (PubChem CID 97283369) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-[1-[(2S)-oxane-2-carbonyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-[1-[(2S)-oxane-2-carbonyl]piperidin-4-yl]propanamide
PubChem CID97283369
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC NameN-(3-methoxyphenyl)-3-[1-[(2S)-oxane-2-carbonyl]piperidin-4-yl]propanamide
SMILESCOc1cccc(NC(=O)CCC2CCN(C(=O)[C@@H]3CCCCO3)CC2)c1
InChIInChI=1S/C21H30N2O4/c1-26-18-6-4-5-17(15-18)22-20(24)9-8-16-10-12-23(13-11-16)21(25)19-7-2-3-14-27-19/h4-6,15-16,19H,2-3,7-14H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyMFFGWYGECYCSSE-IBGZPJMESA-N
XLogP3.22
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide
CID 45246394
3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
CID 25453412
N-(3-methoxyphenyl)-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide
CID 72881305
3-(1-benzoylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
CID 91903809
3-(1-cyclohexylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
CID 29022201
N-(3-methoxyphenyl)-3-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 72883906
3-[1-(dimethylsulfamoyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
CID 25375209
N-(3-methoxyphenyl)-2-(oxan-2-yl)acetamide
CID 110422002
(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
CID 26405274
N-(3-methoxyphenyl)-3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]propanamide
CID 42099100
N-(3-methoxyphenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 78722797

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-[1-[(2S)-oxane-2-carbonyl]piperidin-4-yl]propanamide?
The IUPAC name of N-(3-methoxyphenyl)-3-[1-[(2S)-oxane-2-carbonyl]piperidin-4-yl]propanamide (CID 97283369) is N-(3-methoxyphenyl)-3-[1-[(2S)-oxane-2-carbonyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-[1-[(2S)-oxane-2-carbonyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-[1-[(2S)-oxane-2-carbonyl]piperidin-4-yl]propanamide is COc1cccc(NC(=O)CCC2CCN(C(=O)[C@@H]3CCCCO3)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-[1-[(2S)-oxane-2-carbonyl]piperidin-4-yl]propanamide?
The InChIKey is MFFGWYGECYCSSE-IBGZPJMESA-N. The full InChI is InChI=1S/C21H30N2O4/c1-26-18-6-4-5-17(15-18)22-20(24)9-8-16-10-12-23(13-11-16)21(25)19-7-2-3-14-27-19/h4-6,15-16,19H,2-3,7-14H2,1H3,(H,22,24)/t19-/m0/s1.
What are the key properties of N-(3-methoxyphenyl)-3-[1-[(2S)-oxane-2-carbonyl]piperidin-4-yl]propanamide?
N-(3-methoxyphenyl)-3-[1-[(2S)-oxane-2-carbonyl]piperidin-4-yl]propanamide has a molecular weight of 374.48 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-[1-[(2S)-oxane-2-carbonyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 97283369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).