(2S)-N-cyclopropyl-2-hydroxy-2-[1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]piperidin-4-yl]acetamide

C16H30N2O4 — CID 129490018

IUPAC(2S)-N-cyclopropyl-2-hydroxy-2-[1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]piperidin-4-yl]acetamide
SMILESCC(C)OC[C@@H](O)CN1CCC([C@H](O)C(=O)NC2CC2)CC1
InChIInChI=1S/C16H30N2O4/c1-11(2)22-10-14(19)9-18-7-5-12(6-8-18)15(20)16(21)17-13-3-4-13/h11-15,19-20H,3-10H2,1-2H3,(H,17,21)/t14-,15-/m0/s1
InChIKeyMIOWNBYGAFGJSM-GJZGRUSLSA-N
MW314.43 g/mol
LogP0.12
Rot. Bonds8

About (2S)-N-cyclopropyl-2-hydroxy-2-[1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]piperidin-4-yl]acetamide

(2S)-N-cyclopropyl-2-hydroxy-2-[1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]piperidin-4-yl]acetamide (PubChem CID 129490018) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-hydroxy-2-[1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-hydroxy-2-[1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]piperidin-4-yl]acetamide
PubChem CID129490018
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Name(2S)-N-cyclopropyl-2-hydroxy-2-[1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]piperidin-4-yl]acetamide
SMILESCC(C)OC[C@@H](O)CN1CCC([C@H](O)C(=O)NC2CC2)CC1
InChIInChI=1S/C16H30N2O4/c1-11(2)22-10-14(19)9-18-7-5-12(6-8-18)15(20)16(21)17-13-3-4-13/h11-15,19-20H,3-10H2,1-2H3,(H,17,21)/t14-,15-/m0/s1
InChIKeyMIOWNBYGAFGJSM-GJZGRUSLSA-N
XLogP0.12
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-N-cyclopropyl-2-hydroxy-2-[1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]piperidin-4-yl]acetamide with MolForge

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Related Compounds

(2S)-N-cyclopropyl-2-hydroxy-2-[1-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]piperidin-4-yl]acetamide
CID 129490017
(2S)-N-cyclopropyl-2-hydroxy-2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]acetamide
CID 129490273
1-[4-[1-(methylamino)ethyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63987782
(2R)-N-cyclopropyl-2-hydroxy-2-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide
CID 129489862
1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63987820
N-cyclopropyl-2-hydroxy-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide
CID 154753718
N-ethyl-2-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]acetamide
CID 78849332
[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 78903776
1-[4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]-1,4-diazepan-1-yl]ethanone
CID 95357999
[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]carbamic acid
CID 154258087
1-(4-piperidin-1-ylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol
CID 60966443
1-propan-2-yloxy-3-(4-propylazepan-1-yl)propan-2-ol
CID 62077210

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-hydroxy-2-[1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]piperidin-4-yl]acetamide?
The IUPAC name of (2S)-N-cyclopropyl-2-hydroxy-2-[1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]piperidin-4-yl]acetamide (CID 129490018) is (2S)-N-cyclopropyl-2-hydroxy-2-[1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]piperidin-4-yl]acetamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-hydroxy-2-[1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]piperidin-4-yl]acetamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-hydroxy-2-[1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]piperidin-4-yl]acetamide is CC(C)OC[C@@H](O)CN1CCC([C@H](O)C(=O)NC2CC2)CC1.
What is the InChIKey of (2S)-N-cyclopropyl-2-hydroxy-2-[1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]piperidin-4-yl]acetamide?
The InChIKey is MIOWNBYGAFGJSM-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H30N2O4/c1-11(2)22-10-14(19)9-18-7-5-12(6-8-18)15(20)16(21)17-13-3-4-13/h11-15,19-20H,3-10H2,1-2H3,(H,17,21)/t14-,15-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-hydroxy-2-[1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]piperidin-4-yl]acetamide?
(2S)-N-cyclopropyl-2-hydroxy-2-[1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]piperidin-4-yl]acetamide has a molecular weight of 314.43 g/mol, XLogP of 0.12, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-hydroxy-2-[1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 129490018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).