1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-N-methylpiperidine-3-carboxamide

C14H28N4O2 — CID 103194926

IUPAC1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(CCC(=O)N(C)CCCN)C1
InChIInChI=1S/C14H28N4O2/c1-16-14(20)12-5-3-9-18(11-12)10-6-13(19)17(2)8-4-7-15/h12H,3-11,15H2,1-2H3,(H,16,20)
InChIKeyGLUGYGSLUBXRPY-UHFFFAOYSA-N
MW284.40 g/mol
LogP-0.36
Rot. Bonds7

About 1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-N-methylpiperidine-3-carboxamide

1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-N-methylpiperidine-3-carboxamide (PubChem CID 103194926) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-N-methylpiperidine-3-carboxamide
PubChem CID103194926
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(CCC(=O)N(C)CCCN)C1
InChIInChI=1S/C14H28N4O2/c1-16-14(20)12-5-3-9-18(11-12)10-6-13(19)17(2)8-4-7-15/h12H,3-11,15H2,1-2H3,(H,16,20)
InChIKeyGLUGYGSLUBXRPY-UHFFFAOYSA-N
XLogP-0.36
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-aminoethoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 103482277
N-(2-aminoethyl)-1-[4-(methylamino)-4-oxobutyl]piperidine-3-carboxamide
CID 63891883
N-(3-aminopropyl)-3-[3-(diethylamino)pyrrolidin-1-yl]-N-methylpropanamide
CID 63172162
N-(2-aminoethyl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 63253004
4-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 63207232
N-methyl-N-[6-[methyl(3-piperidin-1-ylpropanoyl)amino]hexyl]-3-piperidin-1-ylpropanamide
CID 10477358
N-(3-aminopropyl)-2-(azepan-1-yl)-N-methylacetamide
CID 43253394
1-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
CID 143767660
N-(3-aminopropyl)-N-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanamide
CID 82855691
N-(3-aminopropyl)-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylpropanamide
CID 62884866
7-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide
CID 63207884
N-(3-aminopropyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropanamide
CID 43581216

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-N-methylpiperidine-3-carboxamide (CID 103194926) is 1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(CCC(=O)N(C)CCCN)C1.
What is the InChIKey of 1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is GLUGYGSLUBXRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-16-14(20)12-5-3-9-18(11-12)10-6-13(19)17(2)8-4-7-15/h12H,3-11,15H2,1-2H3,(H,16,20).
What are the key properties of 1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-N-methylpiperidine-3-carboxamide?
1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 284.40 g/mol, XLogP of -0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103194926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).