N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]cyclopropanecarboxamide

C16H31N3O — CID 110445585

IUPACN-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]cyclopropanecarboxamide
SMILESCN1CCC(N(C)CCCCCNC(=O)C2CC2)CC1
InChIInChI=1S/C16H31N3O/c1-18-12-8-15(9-13-18)19(2)11-5-3-4-10-17-16(20)14-6-7-14/h14-15H,3-13H2,1-2H3,(H,17,20)
InChIKeyNCAMROPKZSCNAY-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.71
Rot. Bonds8

About N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]cyclopropanecarboxamide

N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]cyclopropanecarboxamide (PubChem CID 110445585) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]cyclopropanecarboxamide
PubChem CID110445585
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]cyclopropanecarboxamide
SMILESCN1CCC(N(C)CCCCCNC(=O)C2CC2)CC1
InChIInChI=1S/C16H31N3O/c1-18-12-8-15(9-13-18)19(2)11-5-3-4-10-17-16(20)14-6-7-14/h14-15H,3-13H2,1-2H3,(H,17,20)
InChIKeyNCAMROPKZSCNAY-UHFFFAOYSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]acetamide
CID 110441171
3-methyl-N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]butanamide
CID 110442144
N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]benzamide
CID 110442921
N-(5-hydroxypentyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide
CID 110839296
N-(2-aminoethyl)-1-methylpiperidine-4-carboxamide
CID 53215741
4-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783349
N-[3-[cyclohexyl(methyl)amino]propyl]piperidine-4-carboxamide
CID 60981241
6-[(1-methylpyrrolidine-3-carbonyl)amino]hexanoic acid
CID 54938980
3-[5-[cyclohexyl(methyl)amino]pentyl]-1,1-dimethylurea
CID 110443807
4-(4-methylpiperazine-1-carbonyl)-N-pentylcyclohexane-1-carboxamide
CID 109147401
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]cyclopentane-1-carboxamide
CID 66009397
4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147025

Frequently Asked Questions

What is the IUPAC name of N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]cyclopropanecarboxamide (CID 110445585) is N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]cyclopropanecarboxamide is CN1CCC(N(C)CCCCCNC(=O)C2CC2)CC1.
What is the InChIKey of N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]cyclopropanecarboxamide?
The InChIKey is NCAMROPKZSCNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-18-12-8-15(9-13-18)19(2)11-5-3-4-10-17-16(20)14-6-7-14/h14-15H,3-13H2,1-2H3,(H,17,20).
What are the key properties of N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]cyclopropanecarboxamide?
N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]cyclopropanecarboxamide has a molecular weight of 281.44 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]cyclopropanecarboxamide is sourced from PubChem (CID 110445585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).