(3-aminocyclopentyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone

C14H27N3O2 — CID 119880090

IUPAC(3-aminocyclopentyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone
SMILESCC(O)CN1CCN(C(=O)C2CCC(N)C2)CC1C
InChIInChI=1S/C14H27N3O2/c1-10-8-17(6-5-16(10)9-11(2)18)14(19)12-3-4-13(15)7-12/h10-13,18H,3-9,15H2,1-2H3
InChIKeyLITHUCCALFNLGS-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.03
Rot. Bonds3

About (3-aminocyclopentyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone

(3-aminocyclopentyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone (PubChem CID 119880090) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is (3-aminocyclopentyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminocyclopentyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone
PubChem CID119880090
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name(3-aminocyclopentyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone
SMILESCC(O)CN1CCN(C(=O)C2CCC(N)C2)CC1C
InChIInChI=1S/C14H27N3O2/c1-10-8-17(6-5-16(10)9-11(2)18)14(19)12-3-4-13(15)7-12/h10-13,18H,3-9,15H2,1-2H3
InChIKeyLITHUCCALFNLGS-UHFFFAOYSA-N
XLogP0.03
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3-aminocyclopentyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone with MolForge

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Related Compounds

(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride
CID 119880091
(3-aminocyclopentyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114536713
(1-benzoylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone
CID 136528204
(3-aminocyclopentyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781901
(3-amino-4-methylcyclohexyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 55218094
(3-aminocyclopentyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 66032470
(3-aminocyclohexyl)-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride
CID 119880273
(3-aminocyclopentyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride
CID 119831557
4-(4-ethyl-3-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783355
(3-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone;dihydrochloride
CID 119867638
[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
CID 97030843
(3-aminocyclopentyl)-(azetidin-1-yl)methanone
CID 130546940

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of (3-aminocyclopentyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone (CID 119880090) is (3-aminocyclopentyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (3-aminocyclopentyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for (3-aminocyclopentyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone is CC(O)CN1CCN(C(=O)C2CCC(N)C2)CC1C.
What is the InChIKey of (3-aminocyclopentyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone?
The InChIKey is LITHUCCALFNLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-10-8-17(6-5-16(10)9-11(2)18)14(19)12-3-4-13(15)7-12/h10-13,18H,3-9,15H2,1-2H3.
What are the key properties of (3-aminocyclopentyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone?
(3-aminocyclopentyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone has a molecular weight of 269.39 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 119880090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).