(3S,4R)-3,4-dimethyl-N-[(2R)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]piperidine-1-carboxamide

C15H28N2O3 — CID 124777099

IUPAC(3S,4R)-3,4-dimethyl-N-[(2R)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]piperidine-1-carboxamide
SMILESC[C@H](CO[C@@H]1CCOC1)NC(=O)N1CC[C@@H](C)[C@H](C)C1
InChIInChI=1S/C15H28N2O3/c1-11-4-6-17(8-12(11)2)15(18)16-13(3)9-20-14-5-7-19-10-14/h11-14H,4-10H2,1-3H3,(H,16,18)/t11-,12-,13-,14-/m1/s1
InChIKeyFDIFHRRKYOWKIX-AAVRWANBSA-N
MW284.40 g/mol
LogP1.87
Rot. Bonds4

About (3S,4R)-3,4-dimethyl-N-[(2R)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]piperidine-1-carboxamide

(3S,4R)-3,4-dimethyl-N-[(2R)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]piperidine-1-carboxamide (PubChem CID 124777099) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is (3S,4R)-3,4-dimethyl-N-[(2R)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4R)-3,4-dimethyl-N-[(2R)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]piperidine-1-carboxamide
PubChem CID124777099
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name(3S,4R)-3,4-dimethyl-N-[(2R)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]piperidine-1-carboxamide
SMILESC[C@H](CO[C@@H]1CCOC1)NC(=O)N1CC[C@@H](C)[C@H](C)C1
InChIInChI=1S/C15H28N2O3/c1-11-4-6-17(8-12(11)2)15(18)16-13(3)9-20-14-5-7-19-10-14/h11-14H,4-10H2,1-3H3,(H,16,18)/t11-,12-,13-,14-/m1/s1
InChIKeyFDIFHRRKYOWKIX-AAVRWANBSA-N
XLogP1.87
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,4R)-3,4-dimethyl-N-[(2R)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]piperidine-1-carboxamide with MolForge

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Related Compounds

(3S,4S)-3,4-dimethyl-N-[(2R)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]piperidine-1-carboxamide
CID 124777101
N-[(2R)-1-[(3S)-oxolan-3-yl]oxypropan-2-yl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 129381643
4-(2-fluorophenyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]piperazine-1-carboxamide
CID 136513665
3-(5-methylfuran-2-yl)-N-[1-(oxolan-3-yloxy)propan-2-yl]morpholine-4-carboxamide
CID 136513663
4-[[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]carbamoyl]benzoic acid
CID 125132997
2-amino-2-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]propanamide;hydrochloride
CID 119340247
(2S)-2-amino-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide;hydrochloride
CID 119340273
3,4-dimethyl-N-(oxolan-3-yl)piperidine-1-carboxamide
CID 115871728
(2S)-2-amino-3,3-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide
CID 119812763
N-methyl-1-(oxolan-3-yloxy)propan-2-amine
CID 63556835
(2R)-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 104874475
N-[1-(oxolan-3-yloxy)propan-2-yl]butan-2-amine
CID 115727519

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3,4-dimethyl-N-[(2R)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]piperidine-1-carboxamide?
The IUPAC name of (3S,4R)-3,4-dimethyl-N-[(2R)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]piperidine-1-carboxamide (CID 124777099) is (3S,4R)-3,4-dimethyl-N-[(2R)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for (3S,4R)-3,4-dimethyl-N-[(2R)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for (3S,4R)-3,4-dimethyl-N-[(2R)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]piperidine-1-carboxamide is C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CC[C@@H](C)[C@H](C)C1.
What is the InChIKey of (3S,4R)-3,4-dimethyl-N-[(2R)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]piperidine-1-carboxamide?
The InChIKey is FDIFHRRKYOWKIX-AAVRWANBSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11-4-6-17(8-12(11)2)15(18)16-13(3)9-20-14-5-7-19-10-14/h11-14H,4-10H2,1-3H3,(H,16,18)/t11-,12-,13-,14-/m1/s1.
What are the key properties of (3S,4R)-3,4-dimethyl-N-[(2R)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]piperidine-1-carboxamide?
(3S,4R)-3,4-dimethyl-N-[(2R)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]piperidine-1-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3,4-dimethyl-N-[(2R)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 124777099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).