N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]cyclopropanecarboxamide

C16H27N3O3 — CID 110128151

IUPACN-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]cyclopropanecarboxamide
SMILESCC(=O)N1CCN([C@@H]2CCC[C@@H](NC(=O)C3CC3)[C@H]2O)CC1
InChIInChI=1S/C16H27N3O3/c1-11(20)18-7-9-19(10-8-18)14-4-2-3-13(15(14)21)17-16(22)12-5-6-12/h12-15,21H,2-10H2,1H3,(H,17,22)/t13-,14-,15-/m1/s1
InChIKeyQAXJEJIFODWURR-RBSFLKMASA-N
MW309.41 g/mol
LogP-0.04
Rot. Bonds3

About N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]cyclopropanecarboxamide

N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]cyclopropanecarboxamide (PubChem CID 110128151) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]cyclopropanecarboxamide
PubChem CID110128151
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC NameN-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]cyclopropanecarboxamide
SMILESCC(=O)N1CCN([C@@H]2CCC[C@@H](NC(=O)C3CC3)[C@H]2O)CC1
InChIInChI=1S/C16H27N3O3/c1-11(20)18-7-9-19(10-8-18)14-4-2-3-13(15(14)21)17-16(22)12-5-6-12/h12-15,21H,2-10H2,1H3,(H,17,22)/t13-,14-,15-/m1/s1
InChIKeyQAXJEJIFODWURR-RBSFLKMASA-N
XLogP-0.04
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]cyclopropanecarboxamide?
The IUPAC name of N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]cyclopropanecarboxamide (CID 110128151) is N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]cyclopropanecarboxamide is CC(=O)N1CCN([C@@H]2CCC[C@@H](NC(=O)C3CC3)[C@H]2O)CC1.
What is the InChIKey of N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]cyclopropanecarboxamide?
The InChIKey is QAXJEJIFODWURR-RBSFLKMASA-N. The full InChI is InChI=1S/C16H27N3O3/c1-11(20)18-7-9-19(10-8-18)14-4-2-3-13(15(14)21)17-16(22)12-5-6-12/h12-15,21H,2-10H2,1H3,(H,17,22)/t13-,14-,15-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]cyclopropanecarboxamide?
N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]cyclopropanecarboxamide has a molecular weight of 309.41 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]cyclopropanecarboxamide is sourced from PubChem (CID 110128151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).