2-amino-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pentan-1-one

C17H31N3O2 — CID 119294723

IUPAC2-amino-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pentan-1-one
SMILESCCCC(N)C(=O)N1CCC(C(=O)N2CCCC(C)C2)CC1
InChIInChI=1S/C17H31N3O2/c1-3-5-15(18)17(22)19-10-7-14(8-11-19)16(21)20-9-4-6-13(2)12-20/h13-15H,3-12,18H2,1-2H3
InChIKeyDBGPJGLMXSTHDL-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.61
Rot. Bonds4

About 2-amino-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pentan-1-one

2-amino-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pentan-1-one (PubChem CID 119294723) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 2-amino-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pentan-1-one
PubChem CID119294723
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name2-amino-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pentan-1-one
SMILESCCCC(N)C(=O)N1CCC(C(=O)N2CCCC(C)C2)CC1
InChIInChI=1S/C17H31N3O2/c1-3-5-15(18)17(22)19-10-7-14(8-11-19)16(21)20-9-4-6-13(2)12-20/h13-15H,3-12,18H2,1-2H3
InChIKeyDBGPJGLMXSTHDL-UHFFFAOYSA-N
XLogP1.61
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3-methylpiperidin-1-yl)pentan-1-one
CID 43649995
2-amino-1-(4-methylazepan-1-yl)pentan-1-one;hydrochloride
CID 119307771
(2S)-2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 103831654
2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 63626506
2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride
CID 119264220
(2S)-2-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 93318647
(2S)-2-amino-1-(3-methylpiperidin-1-yl)butan-1-one
CID 79025192
2-amino-1-(4-tert-butylazepan-1-yl)pentan-1-one;hydrochloride
CID 119326049
1-[(2R)-2-aminopentanoyl]pyrrolidine-3-carboxylic acid
CID 103848580
(2S)-2-amino-1-(3-methylpiperidin-1-yl)-4-methylsulfanylbutan-1-one
CID 61148925
4-(3-methylpiperidine-1-carbonyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 113005850
1-[(2R)-2-aminopentanoyl]-N-methylpiperidine-3-carboxamide
CID 103796757

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pentan-1-one?
The IUPAC name of 2-amino-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pentan-1-one (CID 119294723) is 2-amino-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 2-amino-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pentan-1-one?
The canonical SMILES for 2-amino-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pentan-1-one is CCCC(N)C(=O)N1CCC(C(=O)N2CCCC(C)C2)CC1.
What is the InChIKey of 2-amino-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pentan-1-one?
The InChIKey is DBGPJGLMXSTHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-3-5-15(18)17(22)19-10-7-14(8-11-19)16(21)20-9-4-6-13(2)12-20/h13-15H,3-12,18H2,1-2H3.
What are the key properties of 2-amino-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pentan-1-one?
2-amino-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pentan-1-one has a molecular weight of 309.45 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 119294723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).