cyclopropyl-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone

C16H26N2O3 — CID 43589536

IUPACcyclopropyl-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
SMILESO=C(C1CCCN(C(=O)C2CC2)C1)N1CCCC(CO)C1
InChIInChI=1S/C16H26N2O3/c19-11-12-3-1-7-17(9-12)16(21)14-4-2-8-18(10-14)15(20)13-5-6-13/h12-14,19H,1-11H2
InChIKeyYOTLZCIVGPMICH-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.87
Rot. Bonds3

About cyclopropyl-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone

cyclopropyl-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone (PubChem CID 43589536) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is cyclopropyl-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
PubChem CID43589536
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Namecyclopropyl-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
SMILESO=C(C1CCCN(C(=O)C2CC2)C1)N1CCCC(CO)C1
InChIInChI=1S/C16H26N2O3/c19-11-12-3-1-7-17(9-12)16(21)14-4-2-8-18(10-14)15(20)13-5-6-13/h12-14,19H,1-11H2
InChIKeyYOTLZCIVGPMICH-UHFFFAOYSA-N
XLogP0.87
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone
CID 65019049
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
cyclopropyl-[(3R)-3-ethylpiperidin-1-yl]methanone
CID 176933785
4-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 43589568
[3-(aminomethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260151
2-[1-(cycloheptanecarbonyl)piperidin-3-yl]acetic acid
CID 62691115
bis[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 151645360
cyclopropyl-[3-(3-hydroxypiperidine-1-carbonyl)piperidin-1-yl]methanone
CID 43502686
(4-aminocyclohexyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107216903
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 65023448
[3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone
CID 130577977
[3-(2-chloroethyl)piperidin-1-yl]-cyclobutylmethanone
CID 63395841

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone (CID 43589536) is cyclopropyl-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone is O=C(C1CCCN(C(=O)C2CC2)C1)N1CCCC(CO)C1.
What is the InChIKey of cyclopropyl-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone?
The InChIKey is YOTLZCIVGPMICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c19-11-12-3-1-7-17(9-12)16(21)14-4-2-8-18(10-14)15(20)13-5-6-13/h12-14,19H,1-11H2.
What are the key properties of cyclopropyl-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone?
cyclopropyl-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone has a molecular weight of 294.40 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone is sourced from PubChem (CID 43589536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).