5-chloro-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)pentanamide

C15H30ClN3O — CID 60948355

IUPAC5-chloro-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)pentanamide
SMILESCN(C)CCN(C(=O)CCCCCl)C1CCN(C)CC1
InChIInChI=1S/C15H30ClN3O/c1-17(2)12-13-19(15(20)6-4-5-9-16)14-7-10-18(3)11-8-14/h14H,4-13H2,1-3H3
InChIKeyZCHAZQRZVABFGX-UHFFFAOYSA-N
MW303.88 g/mol
LogP1.88
Rot. Bonds8

About 5-chloro-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)pentanamide

5-chloro-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)pentanamide (PubChem CID 60948355) has the molecular formula C15H30ClN3O and a molecular weight of 303.88 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)pentanamide
PubChem CID60948355
Molecular FormulaC15H30ClN3O
Molecular Weight303.88 g/mol
Exact Mass303.21
IUPAC Name5-chloro-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)pentanamide
SMILESCN(C)CCN(C(=O)CCCCCl)C1CCN(C)CC1
InChIInChI=1S/C15H30ClN3O/c1-17(2)12-13-19(15(20)6-4-5-9-16)14-7-10-18(3)11-8-14/h14H,4-13H2,1-3H3
InChIKeyZCHAZQRZVABFGX-UHFFFAOYSA-N
XLogP1.88
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.88
LogP ≤ 51.88
H-Bond Donors ≤ 50
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

N-[2-(dimethylamino)ethyl]-4-hydroxy-N-(1-methylpiperidin-4-yl)butanamide
CID 79203320
5-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-5-oxopentanoic acid
CID 60950165
3-amino-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide
CID 54873923
3-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoic acid
CID 62232103
5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)pentanamide
CID 102861187
N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950158
N-cyclopentyl-N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79205212
7-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]heptanamide
CID 60954276
5-chloro-N-methyl-N-(1-methylpiperidin-3-yl)pentanamide
CID 62546411
5-chloro-N-cyclopropyl-N-methylpentanamide
CID 43264877
2-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 61266425
2-bromo-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide
CID 114014439

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)pentanamide?
The IUPAC name of 5-chloro-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)pentanamide (CID 60948355) is 5-chloro-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)pentanamide.
What is the SMILES notation for 5-chloro-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)pentanamide?
The canonical SMILES for 5-chloro-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)pentanamide is CN(C)CCN(C(=O)CCCCCl)C1CCN(C)CC1.
What is the InChIKey of 5-chloro-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)pentanamide?
The InChIKey is ZCHAZQRZVABFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30ClN3O/c1-17(2)12-13-19(15(20)6-4-5-9-16)14-7-10-18(3)11-8-14/h14H,4-13H2,1-3H3.
What are the key properties of 5-chloro-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)pentanamide?
5-chloro-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)pentanamide has a molecular weight of 303.88 g/mol, XLogP of 1.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)pentanamide is sourced from PubChem (CID 60948355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).