2-[(3-hydroxycyclopentyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone

C13H25N3O2 — CID 106129832

IUPAC2-[(3-hydroxycyclopentyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CNCC2CCC(O)C2)CC1
InChIInChI=1S/C13H25N3O2/c1-15-4-6-16(7-5-15)13(18)10-14-9-11-2-3-12(17)8-11/h11-12,14,17H,2-10H2,1H3
InChIKeyYIHSFYDTLAFAKY-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.49
Rot. Bonds4

About 2-[(3-hydroxycyclopentyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone

2-[(3-hydroxycyclopentyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 106129832) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[(3-hydroxycyclopentyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(3-hydroxycyclopentyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID106129832
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-[(3-hydroxycyclopentyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CNCC2CCC(O)C2)CC1
InChIInChI=1S/C13H25N3O2/c1-15-4-6-16(7-5-15)13(18)10-14-9-11-2-3-12(17)8-11/h11-12,14,17H,2-10H2,1H3
InChIKeyYIHSFYDTLAFAKY-UHFFFAOYSA-N
XLogP-0.49
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60973098
1-[2-[(3-hydroxycyclopentyl)methylamino]acetyl]piperidine-4-carboxylic acid
CID 106136922
2-[(2-methylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 55013400
1-(azepan-1-yl)-2-[(4-hydroxycyclohexyl)methylamino]ethanone
CID 106133822
2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-(4-methylpiperazin-1-yl)ethanone
CID 63681966
2-[(1,1-dioxothiolan-2-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81038478
2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide;dihydrochloride
CID 119849545
ethyl 4-[2-(cyclopropylmethylamino)acetyl]piperazine-1-carboxylate
CID 54916262
1-(4-acetyl-1,4-diazepan-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride
CID 119399355
2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 63298948
2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119838548
2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone
CID 119766987

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxycyclopentyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[(3-hydroxycyclopentyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone (CID 106129832) is 2-[(3-hydroxycyclopentyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[(3-hydroxycyclopentyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[(3-hydroxycyclopentyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)CNCC2CCC(O)C2)CC1.
What is the InChIKey of 2-[(3-hydroxycyclopentyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is YIHSFYDTLAFAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-15-4-6-16(7-5-15)13(18)10-14-9-11-2-3-12(17)8-11/h11-12,14,17H,2-10H2,1H3.
What are the key properties of 2-[(3-hydroxycyclopentyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone?
2-[(3-hydroxycyclopentyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 255.36 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxycyclopentyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 106129832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).