2-chloro-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide

C19H27ClN2O3 — CID 108565343

IUPAC2-chloro-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide
SMILESCc1ccc(OCCCC(=O)N2CCC(NC(=O)C(C)Cl)CC2)cc1
InChIInChI=1S/C19H27ClN2O3/c1-14-5-7-17(8-6-14)25-13-3-4-18(23)22-11-9-16(10-12-22)21-19(24)15(2)20/h5-8,15-16H,3-4,9-13H2,1-2H3,(H,21,24)
InChIKeyOHOIIEWWRZKVRO-UHFFFAOYSA-N
MW366.89 g/mol
LogP2.89
Rot. Bonds7

About 2-chloro-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide

2-chloro-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide (PubChem CID 108565343) has the molecular formula C19H27ClN2O3 and a molecular weight of 366.89 g/mol. Its IUPAC name is 2-chloro-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide
PubChem CID108565343
Molecular FormulaC19H27ClN2O3
Molecular Weight366.89 g/mol
Exact Mass366.17
IUPAC Name2-chloro-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide
SMILESCc1ccc(OCCCC(=O)N2CCC(NC(=O)C(C)Cl)CC2)cc1
InChIInChI=1S/C19H27ClN2O3/c1-14-5-7-17(8-6-14)25-13-3-4-18(23)22-11-9-16(10-12-22)21-19(24)15(2)20/h5-8,15-16H,3-4,9-13H2,1-2H3,(H,21,24)
InChIKeyOHOIIEWWRZKVRO-UHFFFAOYSA-N
XLogP2.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide
CID 108558499
3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]butanamide
CID 108549552
N-[1-(3-methylbutanoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide
CID 49493081
4-methoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108548924
N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557848
3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108555362
4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 108553445
3,5-dimethoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108550599
2,2-dichloro-N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]acetamide
CID 108565365
methyl 4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxylate
CID 108561101
N,N-dimethyl-4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxamide
CID 108561105
2-chloro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]propanamide
CID 108566430

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide?
The IUPAC name of 2-chloro-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide (CID 108565343) is 2-chloro-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2-chloro-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide?
The canonical SMILES for 2-chloro-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide is Cc1ccc(OCCCC(=O)N2CCC(NC(=O)C(C)Cl)CC2)cc1.
What is the InChIKey of 2-chloro-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide?
The InChIKey is OHOIIEWWRZKVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O3/c1-14-5-7-17(8-6-14)25-13-3-4-18(23)22-11-9-16(10-12-22)21-19(24)15(2)20/h5-8,15-16H,3-4,9-13H2,1-2H3,(H,21,24).
What are the key properties of 2-chloro-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide?
2-chloro-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide has a molecular weight of 366.89 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 108565343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).