1-[4-(3-aminopropoxy)piperidin-1-yl]-3-propoxypropan-1-one

C14H28N2O3 — CID 79736848

IUPAC1-[4-(3-aminopropoxy)piperidin-1-yl]-3-propoxypropan-1-one
SMILESCCCOCCC(=O)N1CCC(OCCCN)CC1
InChIInChI=1S/C14H28N2O3/c1-2-10-18-12-6-14(17)16-8-4-13(5-9-16)19-11-3-7-15/h13H,2-12,15H2,1H3
InChIKeyHDAADXBRGCGDAW-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.16
Rot. Bonds9

About 1-[4-(3-aminopropoxy)piperidin-1-yl]-3-propoxypropan-1-one

1-[4-(3-aminopropoxy)piperidin-1-yl]-3-propoxypropan-1-one (PubChem CID 79736848) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[4-(3-aminopropoxy)piperidin-1-yl]-3-propoxypropan-1-one.

Molecular Properties

Compound Name1-[4-(3-aminopropoxy)piperidin-1-yl]-3-propoxypropan-1-one
PubChem CID79736848
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name1-[4-(3-aminopropoxy)piperidin-1-yl]-3-propoxypropan-1-one
SMILESCCCOCCC(=O)N1CCC(OCCCN)CC1
InChIInChI=1S/C14H28N2O3/c1-2-10-18-12-6-14(17)16-8-4-13(5-9-16)19-11-3-7-15/h13H,2-12,15H2,1H3
InChIKeyHDAADXBRGCGDAW-UHFFFAOYSA-N
XLogP1.16
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone
CID 103807741
1-[4-(2-aminoethoxy)piperidin-1-yl]butan-1-one
CID 82702018
4-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]butan-1-one
CID 54872251
1-[4-(2-aminoethoxy)piperidin-1-yl]decan-1-one
CID 82688423
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-methylsulfanylpropan-1-one;hydrochloride
CID 119664051
1-[4-(3-aminopropoxy)piperidin-1-yl]-5-methylsulfanylpentan-1-one;hydrochloride
CID 119662263
N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acetamide
CID 79735173
methyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79737000
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119662804
1-(4-butoxypiperidin-1-yl)propan-1-one
CID 156794583
1-[4-(2-aminoethoxy)piperidin-1-yl]-4-methoxybutan-1-one
CID 82701031
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone;hydrochloride
CID 119664585

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminopropoxy)piperidin-1-yl]-3-propoxypropan-1-one?
The IUPAC name of 1-[4-(3-aminopropoxy)piperidin-1-yl]-3-propoxypropan-1-one (CID 79736848) is 1-[4-(3-aminopropoxy)piperidin-1-yl]-3-propoxypropan-1-one.
What is the SMILES notation for 1-[4-(3-aminopropoxy)piperidin-1-yl]-3-propoxypropan-1-one?
The canonical SMILES for 1-[4-(3-aminopropoxy)piperidin-1-yl]-3-propoxypropan-1-one is CCCOCCC(=O)N1CCC(OCCCN)CC1.
What is the InChIKey of 1-[4-(3-aminopropoxy)piperidin-1-yl]-3-propoxypropan-1-one?
The InChIKey is HDAADXBRGCGDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-2-10-18-12-6-14(17)16-8-4-13(5-9-16)19-11-3-7-15/h13H,2-12,15H2,1H3.
What are the key properties of 1-[4-(3-aminopropoxy)piperidin-1-yl]-3-propoxypropan-1-one?
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-propoxypropan-1-one has a molecular weight of 272.39 g/mol, XLogP of 1.16, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminopropoxy)piperidin-1-yl]-3-propoxypropan-1-one is sourced from PubChem (CID 79736848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).