N-cyclopropyl-2-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]acetamide

C14H28N4O2 — CID 111105801

IUPACN-cyclopropyl-2-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]acetamide
SMILESCN1CCN(CC(O)CN(C)CC(=O)NC2CC2)CC1
InChIInChI=1S/C14H28N4O2/c1-16-5-7-18(8-6-16)10-13(19)9-17(2)11-14(20)15-12-3-4-12/h12-13,19H,3-11H2,1-2H3,(H,15,20)
InChIKeyQZGHGSXBPIPHBP-UHFFFAOYSA-N
MW284.40 g/mol
LogP-1.19
Rot. Bonds7

About N-cyclopropyl-2-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]acetamide

N-cyclopropyl-2-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]acetamide (PubChem CID 111105801) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]acetamide
PubChem CID111105801
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC NameN-cyclopropyl-2-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]acetamide
SMILESCN1CCN(CC(O)CN(C)CC(=O)NC2CC2)CC1
InChIInChI=1S/C14H28N4O2/c1-16-5-7-18(8-6-16)10-13(19)9-17(2)11-14(20)15-12-3-4-12/h12-13,19H,3-11H2,1-2H3,(H,15,20)
InChIKeyQZGHGSXBPIPHBP-UHFFFAOYSA-N
XLogP-1.19
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 62015546
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(4-methylcyclohexyl)acetamide
CID 62013818
2-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 111122241
3-[(2R,6S)-2,6-dimethylcyclohexyl]-1-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-1-methylurea
CID 97223836
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclohexanecarboxamide
CID 111695301
N-cycloheptyl-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]acetamide
CID 95346098
N-cyclopropyl-2-[[3-(dimethylamino)-2-hydroxypropyl]amino]acetamide
CID 60909095
2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide
CID 47010650
2-[(3-amino-2-ethoxypropyl)-methylamino]-N-cyclopropylacetamide
CID 63070047
N-cyclopropyl-2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]acetamide
CID 26005258
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide
CID 86908543
1-cyano-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclopentane-1-carboxamide
CID 111695343

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]acetamide (CID 111105801) is N-cyclopropyl-2-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]acetamide is CN1CCN(CC(O)CN(C)CC(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-2-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]acetamide?
The InChIKey is QZGHGSXBPIPHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-16-5-7-18(8-6-16)10-13(19)9-17(2)11-14(20)15-12-3-4-12/h12-13,19H,3-11H2,1-2H3,(H,15,20).
What are the key properties of N-cyclopropyl-2-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]acetamide?
N-cyclopropyl-2-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]acetamide has a molecular weight of 284.40 g/mol, XLogP of -1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]acetamide is sourced from PubChem (CID 111105801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).