4-amino-1-piperidin-1-ylpentan-1-one;tert-butyl N-(5-oxo-5-piperidin-1-ylpentan-2-yl)carbamate

C25H48N4O4 — CID 157280144

IUPAC4-amino-1-piperidin-1-ylpentan-1-one;tert-butyl N-(5-oxo-5-piperidin-1-ylpentan-2-yl)carbamate
SMILESCC(CCC(=O)N1CCCCC1)NC(=O)OC(C)(C)C.CC(N)CCC(=O)N1CCCCC1
InChIInChI=1S/C15H28N2O3.C10H20N2O/c1-12(16-14(19)20-15(2,3)4)8-9-13(18)17-10-6-5-7-11-17;1-9(11)5-6-10(13)12-7-3-2-4-8-12/h12H,5-11H2,1-4H3,(H,16,19);9H,2-8,11H2,1H3
InChIKeyAZOKDCBIFOKIQZ-UHFFFAOYSA-N
MW468.68 g/mol
LogP3.82
Rot. Bonds7

About 4-amino-1-piperidin-1-ylpentan-1-one;tert-butyl N-(5-oxo-5-piperidin-1-ylpentan-2-yl)carbamate

4-amino-1-piperidin-1-ylpentan-1-one;tert-butyl N-(5-oxo-5-piperidin-1-ylpentan-2-yl)carbamate (PubChem CID 157280144) has the molecular formula C25H48N4O4 and a molecular weight of 468.68 g/mol. Its IUPAC name is 4-amino-1-piperidin-1-ylpentan-1-one;tert-butyl N-(5-oxo-5-piperidin-1-ylpentan-2-yl)carbamate.

Molecular Properties

Compound Name4-amino-1-piperidin-1-ylpentan-1-one;tert-butyl N-(5-oxo-5-piperidin-1-ylpentan-2-yl)carbamate
PubChem CID157280144
Molecular FormulaC25H48N4O4
Molecular Weight468.68 g/mol
Exact Mass468.37
IUPAC Name4-amino-1-piperidin-1-ylpentan-1-one;tert-butyl N-(5-oxo-5-piperidin-1-ylpentan-2-yl)carbamate
SMILESCC(CCC(=O)N1CCCCC1)NC(=O)OC(C)(C)C.CC(N)CCC(=O)N1CCCCC1
InChIInChI=1S/C15H28N2O3.C10H20N2O/c1-12(16-14(19)20-15(2,3)4)8-9-13(18)17-10-6-5-7-11-17;1-9(11)5-6-10(13)12-7-3-2-4-8-12/h12H,5-11H2,1-4H3,(H,16,19);9H,2-8,11H2,1H3
InChIKeyAZOKDCBIFOKIQZ-UHFFFAOYSA-N
XLogP3.82
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.68
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-1-piperidin-1-ylpentan-1-one;tert-butyl N-(5-oxo-5-piperidin-1-ylpentan-2-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(5-aminohexan-2-yl)carbamate
CID 145220242
benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-piperidin-1-ylpentanoate
CID 86717224
tert-butyl N-[1-(azepan-1-yl)-1-oxopropan-2-yl]carbamate
CID 24689322
tert-butyl N-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propyl]carbamate
CID 103387449
tert-butyl N-[4-(azepan-1-yl)-4-oxobutyl]carbamate
CID 24688946
tert-butyl N-(4-oxo-4-piperazin-1-ylbutan-2-yl)carbamate
CID 70213372
4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-piperidin-1-ylpentanoyl]amino]benzoic acid
CID 175203285
1-(4-aminopentanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 120561824
tert-butyl N-(5-oxohexan-2-yl)carbamate
CID 59917777
tert-butyl N-(5-oxo-5-pyrrolidin-1-ylpentyl)carbamate
CID 22027804
tert-butyl N-[1-(azocan-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate
CID 142133698
tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;propane
CID 162388275

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-piperidin-1-ylpentan-1-one;tert-butyl N-(5-oxo-5-piperidin-1-ylpentan-2-yl)carbamate?
The IUPAC name of 4-amino-1-piperidin-1-ylpentan-1-one;tert-butyl N-(5-oxo-5-piperidin-1-ylpentan-2-yl)carbamate (CID 157280144) is 4-amino-1-piperidin-1-ylpentan-1-one;tert-butyl N-(5-oxo-5-piperidin-1-ylpentan-2-yl)carbamate.
What is the SMILES notation for 4-amino-1-piperidin-1-ylpentan-1-one;tert-butyl N-(5-oxo-5-piperidin-1-ylpentan-2-yl)carbamate?
The canonical SMILES for 4-amino-1-piperidin-1-ylpentan-1-one;tert-butyl N-(5-oxo-5-piperidin-1-ylpentan-2-yl)carbamate is CC(CCC(=O)N1CCCCC1)NC(=O)OC(C)(C)C.CC(N)CCC(=O)N1CCCCC1.
What is the InChIKey of 4-amino-1-piperidin-1-ylpentan-1-one;tert-butyl N-(5-oxo-5-piperidin-1-ylpentan-2-yl)carbamate?
The InChIKey is AZOKDCBIFOKIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3.C10H20N2O/c1-12(16-14(19)20-15(2,3)4)8-9-13(18)17-10-6-5-7-11-17;1-9(11)5-6-10(13)12-7-3-2-4-8-12/h12H,5-11H2,1-4H3,(H,16,19);9H,2-8,11H2,1H3.
What are the key properties of 4-amino-1-piperidin-1-ylpentan-1-one;tert-butyl N-(5-oxo-5-piperidin-1-ylpentan-2-yl)carbamate?
4-amino-1-piperidin-1-ylpentan-1-one;tert-butyl N-(5-oxo-5-piperidin-1-ylpentan-2-yl)carbamate has a molecular weight of 468.68 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-piperidin-1-ylpentan-1-one;tert-butyl N-(5-oxo-5-piperidin-1-ylpentan-2-yl)carbamate is sourced from PubChem (CID 157280144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).