(2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide

C17H35N3O3 — CID 95311991

IUPAC(2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)[C@@H](C)N1CCN(C[C@H](O)C(C)(C)C)CC1
InChIInChI=1S/C17H35N3O3/c1-14(16(22)18-7-6-12-23-5)20-10-8-19(9-11-20)13-15(21)17(2,3)4/h14-15,21H,6-13H2,1-5H3,(H,18,22)/t14-,15+/m1/s1
InChIKeyKUIHERCTNBPISX-CABCVRRESA-N
MW329.49 g/mol
LogP0.55
Rot. Bonds8

About (2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide

(2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide (PubChem CID 95311991) has the molecular formula C17H35N3O3 and a molecular weight of 329.49 g/mol. Its IUPAC name is (2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide
PubChem CID95311991
Molecular FormulaC17H35N3O3
Molecular Weight329.49 g/mol
Exact Mass329.27
IUPAC Name(2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)[C@@H](C)N1CCN(C[C@H](O)C(C)(C)C)CC1
InChIInChI=1S/C17H35N3O3/c1-14(16(22)18-7-6-12-23-5)20-10-8-19(9-11-20)13-15(21)17(2,3)4/h14-15,21H,6-13H2,1-5H3,(H,18,22)/t14-,15+/m1/s1
InChIKeyKUIHERCTNBPISX-CABCVRRESA-N
XLogP0.55
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(6R)-1-butyl-6-(1-hydroxyethyl)piperazine-2,3-dione
CID 16745891
(6R)-1-(2,2-dimethylpropyl)-6-(1-hydroxyethyl)piperazine-2,3-dione
CID 16745892
2-[4-(2-hydroxy-3,3-dimethylbutyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide
CID 53594264
(3S,6S)-3-[(1R)-1-hydroxyethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 163108730
5-[(Tert-butylamino)methyl]-3-ethyl-1-(1-hydroxy-2-methylpropan-2-yl)-3,5-dimethylpiperazin-2-one
CID 134907606
2-[4-(2-hydroxy-3,3-dimethylbutyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 53589039
(2S)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 95309181
(2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 95309182
(2S)-2-[4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 95309183
(2R)-2-[4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 95309184
1-Butyl-6-(1-hydroxyethyl)piperazine-2,3-dione
CID 73319643
1-(2,2-Dimethylpropyl)-6-(1-hydroxyethyl)piperazine-2,3-dione
CID 73319644

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide?
The IUPAC name of (2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide (CID 95311991) is (2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for (2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for (2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)[C@@H](C)N1CCN(C[C@H](O)C(C)(C)C)CC1.
What is the InChIKey of (2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide?
The InChIKey is KUIHERCTNBPISX-CABCVRRESA-N. The full InChI is InChI=1S/C17H35N3O3/c1-14(16(22)18-7-6-12-23-5)20-10-8-19(9-11-20)13-15(21)17(2,3)4/h14-15,21H,6-13H2,1-5H3,(H,18,22)/t14-,15+/m1/s1.
What are the key properties of (2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide?
(2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide has a molecular weight of 329.49 g/mol, XLogP of 0.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 95311991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).