N-(3-chloro-4-piperidin-1-ylphenyl)-2-(oxolan-2-ylmethoxy)propanamide

C19H27ClN2O3 — CID 48861457

IUPACN-(3-chloro-4-piperidin-1-ylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
SMILESCC(OCC1CCCO1)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C19H27ClN2O3/c1-14(25-13-16-6-5-11-24-16)19(23)21-15-7-8-18(17(20)12-15)22-9-3-2-4-10-22/h7-8,12,14,16H,2-6,9-11,13H2,1H3,(H,21,23)
InChIKeySKLOSNSBVYLDAF-UHFFFAOYSA-N
MW366.89 g/mol
LogP3.85
Rot. Bonds6

About N-(3-chloro-4-piperidin-1-ylphenyl)-2-(oxolan-2-ylmethoxy)propanamide

N-(3-chloro-4-piperidin-1-ylphenyl)-2-(oxolan-2-ylmethoxy)propanamide (PubChem CID 48861457) has the molecular formula C19H27ClN2O3 and a molecular weight of 366.89 g/mol. Its IUPAC name is N-(3-chloro-4-piperidin-1-ylphenyl)-2-(oxolan-2-ylmethoxy)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-piperidin-1-ylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
PubChem CID48861457
Molecular FormulaC19H27ClN2O3
Molecular Weight366.89 g/mol
Exact Mass366.17
IUPAC NameN-(3-chloro-4-piperidin-1-ylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
SMILESCC(OCC1CCCO1)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C19H27ClN2O3/c1-14(25-13-16-6-5-11-24-16)19(23)21-15-7-8-18(17(20)12-15)22-9-3-2-4-10-22/h7-8,12,14,16H,2-6,9-11,13H2,1H3,(H,21,23)
InChIKeySKLOSNSBVYLDAF-UHFFFAOYSA-N
XLogP3.85
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(3-chloro-4-imidazol-1-ylphenyl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95282583
4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
CID 97233672
N-[3-chloro-4-(1-phenylethylamino)phenyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 49263668
(2R)-N-[2-(azepan-1-yl)phenyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
CID 97003852
N-methyl-4-[[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzamide
CID 95247449
N-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 48845435
3-[2-(oxan-2-ylmethoxy)propanoylamino]benzoic acid
CID 119219567
N-(4-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 43097898
N-(1-ethylindol-5-yl)-2-(oxolan-2-ylmethoxy)propanamide
CID 49493559
(2S)-2-chloro-N-(3-chloro-4-pyrrolidin-1-ylphenyl)propanamide
CID 51670700
N-[1-(2-methoxyethyl)indol-6-yl]-2-(oxolan-2-ylmethoxy)propanamide
CID 75440615
(2R)-N-(4-amino-3,5-dichlorophenyl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanamide
CID 52536429

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-piperidin-1-ylphenyl)-2-(oxolan-2-ylmethoxy)propanamide?
The IUPAC name of N-(3-chloro-4-piperidin-1-ylphenyl)-2-(oxolan-2-ylmethoxy)propanamide (CID 48861457) is N-(3-chloro-4-piperidin-1-ylphenyl)-2-(oxolan-2-ylmethoxy)propanamide.
What is the SMILES notation for N-(3-chloro-4-piperidin-1-ylphenyl)-2-(oxolan-2-ylmethoxy)propanamide?
The canonical SMILES for N-(3-chloro-4-piperidin-1-ylphenyl)-2-(oxolan-2-ylmethoxy)propanamide is CC(OCC1CCCO1)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-piperidin-1-ylphenyl)-2-(oxolan-2-ylmethoxy)propanamide?
The InChIKey is SKLOSNSBVYLDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O3/c1-14(25-13-16-6-5-11-24-16)19(23)21-15-7-8-18(17(20)12-15)22-9-3-2-4-10-22/h7-8,12,14,16H,2-6,9-11,13H2,1H3,(H,21,23).
What are the key properties of N-(3-chloro-4-piperidin-1-ylphenyl)-2-(oxolan-2-ylmethoxy)propanamide?
N-(3-chloro-4-piperidin-1-ylphenyl)-2-(oxolan-2-ylmethoxy)propanamide has a molecular weight of 366.89 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-piperidin-1-ylphenyl)-2-(oxolan-2-ylmethoxy)propanamide is sourced from PubChem (CID 48861457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).