(2S)-4-methyl-N-[(2S)-oxan-2-yl]oxy-2-propan-2-ylpiperazine-1-carboxamide

C14H27N3O3 — CID 124857565

IUPAC(2S)-4-methyl-N-[(2S)-oxan-2-yl]oxy-2-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)[C@H]1CN(C)CCN1C(=O)NO[C@H]1CCCCO1
InChIInChI=1S/C14H27N3O3/c1-11(2)12-10-16(3)7-8-17(12)14(18)15-20-13-6-4-5-9-19-13/h11-13H,4-10H2,1-3H3,(H,15,18)/t12-,13+/m1/s1
InChIKeyFCANMRQJAYKPBQ-OLZOCXBDSA-N
MW285.39 g/mol
LogP1.43
Rot. Bonds3

About (2S)-4-methyl-N-[(2S)-oxan-2-yl]oxy-2-propan-2-ylpiperazine-1-carboxamide

(2S)-4-methyl-N-[(2S)-oxan-2-yl]oxy-2-propan-2-ylpiperazine-1-carboxamide (PubChem CID 124857565) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is (2S)-4-methyl-N-[(2S)-oxan-2-yl]oxy-2-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-4-methyl-N-[(2S)-oxan-2-yl]oxy-2-propan-2-ylpiperazine-1-carboxamide
PubChem CID124857565
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name(2S)-4-methyl-N-[(2S)-oxan-2-yl]oxy-2-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)[C@H]1CN(C)CCN1C(=O)NO[C@H]1CCCCO1
InChIInChI=1S/C14H27N3O3/c1-11(2)12-10-16(3)7-8-17(12)14(18)15-20-13-6-4-5-9-19-13/h11-13H,4-10H2,1-3H3,(H,15,18)/t12-,13+/m1/s1
InChIKeyFCANMRQJAYKPBQ-OLZOCXBDSA-N
XLogP1.43
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-methyl-N-[(2S)-oxan-2-yl]oxypiperidine-1-carboxamide
CID 99718680
(3R)-3-N-[(2S)-oxan-2-yl]oxy-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 94824519
2-cyclohexyloxy-N-(oxan-2-yloxy)propanamide
CID 91642782
N-(oxan-2-yloxy)cyclopropanecarboxamide
CID 130685295
tert-butyl N-(oxan-2-yloxy)carbamate
CID 11790630
(2R,3aS,7aS)-2-methyl-N-[(2S)-oxan-2-yl]oxy-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 124743441
(2R,3R)-2-tert-butyl-3-hydroxy-4-methyl-N-(oxan-2-yloxy)pentanamide
CID 139893645
ethane;N,N,4-trimethyl-2-propan-2-ylpiperazine-1-carboxamide
CID 177202720
N-(oxan-2-yloxy)hexanamide
CID 142707517
methyl (4S)-4-[(2S)-oxan-2-yl]oxypentanoate
CID 11746035
4-methylsulfonyl-N-(oxan-2-yloxy)butanamide
CID 89073669
1-methyl-1,3-bis(oxan-2-yloxy)urea
CID 19371750

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-N-[(2S)-oxan-2-yl]oxy-2-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of (2S)-4-methyl-N-[(2S)-oxan-2-yl]oxy-2-propan-2-ylpiperazine-1-carboxamide (CID 124857565) is (2S)-4-methyl-N-[(2S)-oxan-2-yl]oxy-2-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for (2S)-4-methyl-N-[(2S)-oxan-2-yl]oxy-2-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for (2S)-4-methyl-N-[(2S)-oxan-2-yl]oxy-2-propan-2-ylpiperazine-1-carboxamide is CC(C)[C@H]1CN(C)CCN1C(=O)NO[C@H]1CCCCO1.
What is the InChIKey of (2S)-4-methyl-N-[(2S)-oxan-2-yl]oxy-2-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is FCANMRQJAYKPBQ-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-11(2)12-10-16(3)7-8-17(12)14(18)15-20-13-6-4-5-9-19-13/h11-13H,4-10H2,1-3H3,(H,15,18)/t12-,13+/m1/s1.
What are the key properties of (2S)-4-methyl-N-[(2S)-oxan-2-yl]oxy-2-propan-2-ylpiperazine-1-carboxamide?
(2S)-4-methyl-N-[(2S)-oxan-2-yl]oxy-2-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-N-[(2S)-oxan-2-yl]oxy-2-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 124857565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).