2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-propylacetamide

C14H27N3O2 — CID 71783297

IUPAC2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C14H27N3O2/c1-2-5-15-14(19)11-17-8-6-16(7-9-17)10-13(18)12-3-4-12/h12-13,18H,2-11H2,1H3,(H,15,19)
InChIKeyHURDPOJFTFMHHU-UHFFFAOYSA-N
MW269.39 g/mol
LogP-0.10
Rot. Bonds7

About 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-propylacetamide

2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-propylacetamide (PubChem CID 71783297) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-propylacetamide
PubChem CID71783297
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C14H27N3O2/c1-2-5-15-14(19)11-17-8-6-16(7-9-17)10-13(18)12-3-4-12/h12-13,18H,2-11H2,1H3,(H,15,19)
InChIKeyHURDPOJFTFMHHU-UHFFFAOYSA-N
XLogP-0.10
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-(Hydroxymethyl)piperidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 53515582
2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]-N-propan-2-ylacetamide
CID 53616550
2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 27070086
N-cyclopentyl-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 56787484
N-(2-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 75427144
2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 53605602
2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 63298847
N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79260749
2-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 95327767
2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 95327768
2-(3-hydroxy-4-methylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103898563
1-(3-Hydroxy-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 103900936

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-propylacetamide (CID 71783297) is 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(CC(O)C2CC2)CC1.
What is the InChIKey of 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-propylacetamide?
The InChIKey is HURDPOJFTFMHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-2-5-15-14(19)11-17-8-6-16(7-9-17)10-13(18)12-3-4-12/h12-13,18H,2-11H2,1H3,(H,15,19).
What are the key properties of 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-propylacetamide?
2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-propylacetamide has a molecular weight of 269.39 g/mol, XLogP of -0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 71783297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).