cyclopentyl 2-(piperidin-4-ylamino)acetate;dihydrochloride

C12H24Cl2N2O2 — CID 174595921

IUPACcyclopentyl 2-(piperidin-4-ylamino)acetate;dihydrochloride
SMILESCl.Cl.O=C(CNC1CCNCC1)OC1CCCC1
InChIInChI=1S/C12H22N2O2.2ClH/c15-12(16-11-3-1-2-4-11)9-14-10-5-7-13-8-6-10;;/h10-11,13-14H,1-9H2;2*1H
InChIKeyKBMOOKISLICXOL-UHFFFAOYSA-N
MW299.24 g/mol
LogP1.66
Rot. Bonds4

About cyclopentyl 2-(piperidin-4-ylamino)acetate;dihydrochloride

cyclopentyl 2-(piperidin-4-ylamino)acetate;dihydrochloride (PubChem CID 174595921) has the molecular formula C12H24Cl2N2O2 and a molecular weight of 299.24 g/mol. Its IUPAC name is cyclopentyl 2-(piperidin-4-ylamino)acetate;dihydrochloride.

Molecular Properties

Compound Namecyclopentyl 2-(piperidin-4-ylamino)acetate;dihydrochloride
PubChem CID174595921
Molecular FormulaC12H24Cl2N2O2
Molecular Weight299.24 g/mol
Exact Mass298.12
IUPAC Namecyclopentyl 2-(piperidin-4-ylamino)acetate;dihydrochloride
SMILESCl.Cl.O=C(CNC1CCNCC1)OC1CCCC1
InChIInChI=1S/C12H22N2O2.2ClH/c15-12(16-11-3-1-2-4-11)9-14-10-5-7-13-8-6-10;;/h10-11,13-14H,1-9H2;2*1H
InChIKeyKBMOOKISLICXOL-UHFFFAOYSA-N
XLogP1.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl 3-piperidin-4-yloxypropanoate
CID 55252240
cyclopentyl 2-(propan-2-ylamino)acetate
CID 45098593
cyclopentyl 3-(cyclopropylamino)propanoate
CID 61278609
N-cyclopropyl-2-(piperidin-4-ylamino)acetamide
CID 61016595
benzyl 2-(piperidin-4-ylamino)acetate
CID 19853378
2-(piperidin-4-ylamino)-N-propan-2-ylacetamide
CID 61016594
dipiperidin-4-yl carbonate
CID 129132812
(2-methylcyclohexyl) 2-(cyclopentylamino)acetate
CID 61279877
cyclopentyl 2-(cyclohexylamino)acetate;4-methylbenzenesulfonic acid
CID 89497102
methyl 3-(piperidin-4-ylamino)propanoate
CID 54537076
cyclohexyl propanoate;dihydrochloride
CID 172803130
cyclohexyl 2-aminoacetate;hydrochloride
CID 14180607

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-(piperidin-4-ylamino)acetate;dihydrochloride?
The IUPAC name of cyclopentyl 2-(piperidin-4-ylamino)acetate;dihydrochloride (CID 174595921) is cyclopentyl 2-(piperidin-4-ylamino)acetate;dihydrochloride.
What is the SMILES notation for cyclopentyl 2-(piperidin-4-ylamino)acetate;dihydrochloride?
The canonical SMILES for cyclopentyl 2-(piperidin-4-ylamino)acetate;dihydrochloride is Cl.Cl.O=C(CNC1CCNCC1)OC1CCCC1.
What is the InChIKey of cyclopentyl 2-(piperidin-4-ylamino)acetate;dihydrochloride?
The InChIKey is KBMOOKISLICXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2.2ClH/c15-12(16-11-3-1-2-4-11)9-14-10-5-7-13-8-6-10;;/h10-11,13-14H,1-9H2;2*1H.
What are the key properties of cyclopentyl 2-(piperidin-4-ylamino)acetate;dihydrochloride?
cyclopentyl 2-(piperidin-4-ylamino)acetate;dihydrochloride has a molecular weight of 299.24 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-(piperidin-4-ylamino)acetate;dihydrochloride is sourced from PubChem (CID 174595921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).