[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl] carbamate

C11H21N3O3 — CID 175284066

IUPAC[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl] carbamate
SMILESCC(OC(N)=O)C(=O)N1CCC(C(C)N)CC1
InChIInChI=1S/C11H21N3O3/c1-7(12)9-3-5-14(6-4-9)10(15)8(2)17-11(13)16/h7-9H,3-6,12H2,1-2H3,(H2,13,16)
InChIKeyJPEXSMANBAUMNF-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.06
Rot. Bonds3

About [1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl] carbamate

[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl] carbamate (PubChem CID 175284066) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is [1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl] carbamate
PubChem CID175284066
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl] carbamate
SMILESCC(OC(N)=O)C(=O)N1CCC(C(C)N)CC1
InChIInChI=1S/C11H21N3O3/c1-7(12)9-3-5-14(6-4-9)10(15)8(2)17-11(13)16/h7-9H,3-6,12H2,1-2H3,(H2,13,16)
InChIKeyJPEXSMANBAUMNF-UHFFFAOYSA-N
XLogP0.06
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-aminoethyl)piperidin-1-yl]-2-methoxypropan-1-one
CID 115737084
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 119520564
1-[4-(1-aminoethyl)piperidin-1-yl]-2-ethylbutan-1-one;hydrochloride
CID 119519463
4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid
CID 137372946
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexyl-2-methylpropan-1-one;hydrochloride
CID 119519329
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3,4-difluorophenoxy)propan-1-one
CID 119517559
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3,4-difluorophenoxy)propan-1-one;hydrochloride
CID 119517558
4-[4-(1-aminoethyl)piperidine-1-carbonyl]benzamide
CID 119520138
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenoxy)propan-1-one
CID 119517369
1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 63594642
1-[4-(1-aminoethyl)piperidin-1-yl]-2-prop-2-enylpent-4-en-1-one;hydrochloride
CID 119517747
1-[4-(1-aminoethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119519475

Frequently Asked Questions

What is the IUPAC name of [1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl] carbamate?
The IUPAC name of [1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl] carbamate (CID 175284066) is [1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl] carbamate.
What is the SMILES notation for [1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl] carbamate?
The canonical SMILES for [1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl] carbamate is CC(OC(N)=O)C(=O)N1CCC(C(C)N)CC1.
What is the InChIKey of [1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl] carbamate?
The InChIKey is JPEXSMANBAUMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-7(12)9-3-5-14(6-4-9)10(15)8(2)17-11(13)16/h7-9H,3-6,12H2,1-2H3,(H2,13,16).
What are the key properties of [1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl] carbamate?
[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl] carbamate has a molecular weight of 243.31 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl] carbamate is sourced from PubChem (CID 175284066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).