1-[4-[1-(3-hydroxypropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one

C16H29N3O3 — CID 169228908

IUPAC1-[4-[1-(3-hydroxypropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C(=O)C2CCN(CCCO)CC2)CC1
InChIInChI=1S/C16H29N3O3/c1-2-15(21)18-9-11-19(12-10-18)16(22)14-4-7-17(8-5-14)6-3-13-20/h14,20H,2-13H2,1H3
InChIKeyPZWCBGLXWJGFCK-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.16
Rot. Bonds5

About 1-[4-[1-(3-hydroxypropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one

1-[4-[1-(3-hydroxypropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one (PubChem CID 169228908) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-[4-[1-(3-hydroxypropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[1-(3-hydroxypropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one
PubChem CID169228908
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name1-[4-[1-(3-hydroxypropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C(=O)C2CCN(CCCO)CC2)CC1
InChIInChI=1S/C16H29N3O3/c1-2-15(21)18-9-11-19(12-10-18)16(22)14-4-7-17(8-5-14)6-3-13-20/h14,20H,2-13H2,1H3
InChIKeyPZWCBGLXWJGFCK-UHFFFAOYSA-N
XLogP0.16
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 113003020
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796478
1-[4-(5-hydroxypentyl)-1,4-diazepan-1-yl]propan-1-one
CID 110923851
1-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]propan-1-one
CID 169188679
4-(1-propanoylpiperidine-4-carbonyl)piperazine-1-carbaldehyde
CID 113003741
cyclobutyl-(4-pentylpiperazin-1-yl)methanone
CID 113075121
1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 110604424
[4-(4-aminobutyl)piperazin-1-yl]-cyclopropylmethanone
CID 43251850
1-[4-[4-(3-piperazin-1-ylpropyl)piperazine-1-carbonyl]cyclohexyl]propan-1-one;propane
CID 176683556
N-[1-(2-hydroxyethyl)piperidin-4-yl]-1-propanoylpiperidine-4-carboxamide
CID 131939521
cyclopropyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63308401
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethoxyethanone
CID 60637524

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(3-hydroxypropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[1-(3-hydroxypropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one (CID 169228908) is 1-[4-[1-(3-hydroxypropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[1-(3-hydroxypropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[1-(3-hydroxypropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(C(=O)C2CCN(CCCO)CC2)CC1.
What is the InChIKey of 1-[4-[1-(3-hydroxypropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one?
The InChIKey is PZWCBGLXWJGFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-2-15(21)18-9-11-19(12-10-18)16(22)14-4-7-17(8-5-14)6-3-13-20/h14,20H,2-13H2,1H3.
What are the key properties of 1-[4-[1-(3-hydroxypropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one?
1-[4-[1-(3-hydroxypropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one has a molecular weight of 311.43 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(3-hydroxypropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 169228908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).