(2R,3S)-3-amino-N-(2-methoxyethyl)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide

C19H37N3O3 — CID 166990378

IUPAC(2R,3S)-3-amino-N-(2-methoxyethyl)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC[C@H](N)[C@@H]1COC1CCC(C(C)C)CC1
InChIInChI=1S/C19H37N3O3/c1-14(2)15-6-8-16(9-7-15)25-13-18-17(20)5-4-11-22(18)19(23)21-10-12-24-3/h14-18H,4-13,20H2,1-3H3,(H,21,23)/t15?,16?,17-,18-/m0/s1
InChIKeyYUCVNUQBOUVRMY-FOIPXRHGSA-N
MW355.52 g/mol
LogP2.37
Rot. Bonds7

About (2R,3S)-3-amino-N-(2-methoxyethyl)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide

(2R,3S)-3-amino-N-(2-methoxyethyl)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide (PubChem CID 166990378) has the molecular formula C19H37N3O3 and a molecular weight of 355.52 g/mol. Its IUPAC name is (2R,3S)-3-amino-N-(2-methoxyethyl)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R,3S)-3-amino-N-(2-methoxyethyl)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide
PubChem CID166990378
Molecular FormulaC19H37N3O3
Molecular Weight355.52 g/mol
Exact Mass355.28
IUPAC Name(2R,3S)-3-amino-N-(2-methoxyethyl)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC[C@H](N)[C@@H]1COC1CCC(C(C)C)CC1
InChIInChI=1S/C19H37N3O3/c1-14(2)15-6-8-16(9-7-15)25-13-18-17(20)5-4-11-22(18)19(23)21-10-12-24-3/h14-18H,4-13,20H2,1-3H3,(H,21,23)/t15?,16?,17-,18-/m0/s1
InChIKeyYUCVNUQBOUVRMY-FOIPXRHGSA-N
XLogP2.37
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-N-propylpiperidine-1-carboxamide
CID 166854143
ethyl 3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxylate
CID 166990443
1-[(2R,3S)-3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 166854054
[3-amino-2-[(4-methylcyclohexyl)oxymethyl]piperidin-1-yl]-cyclopropylmethanone
CID 166854080
(2R,3S)-N-cyclopropyl-3-(methanesulfonamido)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide
CID 130310170
(2S,3R)-N-ethyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 163392091
(2S)-N-(2-methoxyethyl)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidine-1-carboxamide
CID 95631539
N-[(2R,3S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide
CID 140802370
(2R,3S)-3-amino-N-ethyl-2-[[4-[3-(fluoromethyl)phenyl]cyclohexyl]oxymethyl]piperidine-1-carboxamide
CID 166990421
(2S)-1-[(2R,3S)-3-amino-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-1-yl]-2-hydroxypropan-1-one
CID 166854386
4-amino-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 122417506
1-[3-amino-2-[[4-(3,5-difluorophenyl)cyclohexyl]oxymethyl]piperidin-1-yl]-2-methoxyethanone
CID 166854239

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-N-(2-methoxyethyl)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide?
The IUPAC name of (2R,3S)-3-amino-N-(2-methoxyethyl)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide (CID 166990378) is (2R,3S)-3-amino-N-(2-methoxyethyl)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide.
What is the SMILES notation for (2R,3S)-3-amino-N-(2-methoxyethyl)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide?
The canonical SMILES for (2R,3S)-3-amino-N-(2-methoxyethyl)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide is COCCNC(=O)N1CCC[C@H](N)[C@@H]1COC1CCC(C(C)C)CC1.
What is the InChIKey of (2R,3S)-3-amino-N-(2-methoxyethyl)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide?
The InChIKey is YUCVNUQBOUVRMY-FOIPXRHGSA-N. The full InChI is InChI=1S/C19H37N3O3/c1-14(2)15-6-8-16(9-7-15)25-13-18-17(20)5-4-11-22(18)19(23)21-10-12-24-3/h14-18H,4-13,20H2,1-3H3,(H,21,23)/t15?,16?,17-,18-/m0/s1.
What are the key properties of (2R,3S)-3-amino-N-(2-methoxyethyl)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide?
(2R,3S)-3-amino-N-(2-methoxyethyl)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide has a molecular weight of 355.52 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-N-(2-methoxyethyl)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide is sourced from PubChem (CID 166990378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).