5-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide

C17H25ClN2O — CID 43346973

IUPAC5-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide
SMILESCC1CCN(c2ccc(NC(=O)CCCCCl)cc2)CC1
InChIInChI=1S/C17H25ClN2O/c1-14-9-12-20(13-10-14)16-7-5-15(6-8-16)19-17(21)4-2-3-11-18/h5-8,14H,2-4,9-13H2,1H3,(H,19,21)
InChIKeyXBEUWMFHWQTGBY-UHFFFAOYSA-N
MW308.85 g/mol
LogP4.27
Rot. Bonds6

About 5-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide

5-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide (PubChem CID 43346973) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 5-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide
PubChem CID43346973
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name5-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide
SMILESCC1CCN(c2ccc(NC(=O)CCCCCl)cc2)CC1
InChIInChI=1S/C17H25ClN2O/c1-14-9-12-20(13-10-14)16-7-5-15(6-8-16)19-17(21)4-2-3-11-18/h5-8,14H,2-4,9-13H2,1H3,(H,19,21)
InChIKeyXBEUWMFHWQTGBY-UHFFFAOYSA-N
XLogP4.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-methylpiperidin-1-yl)phenyl]-4-(3-methylpyrrolidin-1-yl)-4-oxobutanamide
CID 86897059
N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide
CID 110679108
3-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 109032069
3-(2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 60600910
2-ethoxy-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 60668633
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide
CID 60672154
3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 43701399
N-(4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 109039631
3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 113136398
2-chloro-N-[3-[4-(4-methylpiperidin-1-yl)anilino]-3-oxopropyl]benzamide
CID 9033716
N-[4-[4-(4-methylpiperidin-1-yl)anilino]-4-oxobutyl]furan-2-carboxamide
CID 55389157
2-[acetyl(cyclopropyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113158453

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide?
The IUPAC name of 5-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide (CID 43346973) is 5-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide?
The canonical SMILES for 5-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide is CC1CCN(c2ccc(NC(=O)CCCCCl)cc2)CC1.
What is the InChIKey of 5-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide?
The InChIKey is XBEUWMFHWQTGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-14-9-12-20(13-10-14)16-7-5-15(6-8-16)19-17(21)4-2-3-11-18/h5-8,14H,2-4,9-13H2,1H3,(H,19,21).
What are the key properties of 5-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide?
5-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide has a molecular weight of 308.85 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide is sourced from PubChem (CID 43346973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).