5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pentanamide

C14H27ClN2O — CID 54916159

IUPAC5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pentanamide
SMILESCCCN1CCC(N(C)C(=O)CCCCCl)CC1
InChIInChI=1S/C14H27ClN2O/c1-3-10-17-11-7-13(8-12-17)16(2)14(18)6-4-5-9-15/h13H,3-12H2,1-2H3
InChIKeyNKARXSOXMACBLU-UHFFFAOYSA-N
MW274.84 g/mol
LogP2.73
Rot. Bonds7

About 5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pentanamide

5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pentanamide (PubChem CID 54916159) has the molecular formula C14H27ClN2O and a molecular weight of 274.84 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pentanamide
PubChem CID54916159
Molecular FormulaC14H27ClN2O
Molecular Weight274.84 g/mol
Exact Mass274.18
IUPAC Name5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pentanamide
SMILESCCCN1CCC(N(C)C(=O)CCCCCl)CC1
InChIInChI=1S/C14H27ClN2O/c1-3-10-17-11-7-13(8-12-17)16(2)14(18)6-4-5-9-15/h13H,3-12H2,1-2H3
InChIKeyNKARXSOXMACBLU-UHFFFAOYSA-N
XLogP2.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

5-chloro-N-cyclopropyl-N-methylpentanamide
CID 43264877
5-chloro-N-methyl-N-(1-methylpiperidin-3-yl)pentanamide
CID 62546411
3-[methyl-(1-propylpiperidin-4-yl)amino]-3-oxopropanoic acid
CID 62230268
4-chloro-N-methyl-N-(1-propylpiperidin-4-yl)butane-1-sulfonamide
CID 116815908
N,2,2-trimethyl-N-(1-propylpiperidin-4-yl)propanamide
CID 64590731
3-methyl-5-[methyl-(1-propylpiperidin-4-yl)amino]-5-oxopentanoic acid
CID 62963885
N-(1-butylpiperidin-4-yl)-N-methylacetamide
CID 70802066
5-chloro-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)pentanamide
CID 60948355
3-chloro-N-methyl-N-(4-methylcyclohexyl)propanamide
CID 43346623
4-amino-N-methyl-N-(1-methylpiperidin-4-yl)butanamide
CID 60731508
4-[(1-ethylpiperidin-4-yl)-methylamino]-4-oxobutanoic acid
CID 43578327
tert-butyl N-methyl-N-(1-propylpiperidin-4-yl)carbamate
CID 63714385

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pentanamide?
The IUPAC name of 5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pentanamide (CID 54916159) is 5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pentanamide.
What is the SMILES notation for 5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pentanamide?
The canonical SMILES for 5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pentanamide is CCCN1CCC(N(C)C(=O)CCCCCl)CC1.
What is the InChIKey of 5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pentanamide?
The InChIKey is NKARXSOXMACBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClN2O/c1-3-10-17-11-7-13(8-12-17)16(2)14(18)6-4-5-9-15/h13H,3-12H2,1-2H3.
What are the key properties of 5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pentanamide?
5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pentanamide has a molecular weight of 274.84 g/mol, XLogP of 2.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pentanamide is sourced from PubChem (CID 54916159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).