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

C19H37N3O2 — CID 166854143

IUPAC(2R,3S)-3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC[C@H](N)[C@@H]1COC1CCC(C(C)C)CC1
InChIInChI=1S/C19H37N3O2/c1-4-11-21-19(23)22-12-5-6-17(20)18(22)13-24-16-9-7-15(8-10-16)14(2)3/h14-18H,4-13,20H2,1-3H3,(H,21,23)/t15?,16?,17-,18-/m0/s1
InChIKeyRFYJDUDVVYOIRE-FOIPXRHGSA-N
MW339.52 g/mol
LogP3.13
Rot. Bonds6

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

(2R,3S)-3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-N-propylpiperidine-1-carboxamide (PubChem CID 166854143) has the molecular formula C19H37N3O2 and a molecular weight of 339.52 g/mol. Its IUPAC name is (2R,3S)-3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2R,3S)-3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-N-propylpiperidine-1-carboxamide
PubChem CID166854143
Molecular FormulaC19H37N3O2
Molecular Weight339.52 g/mol
Exact Mass339.29
IUPAC Name(2R,3S)-3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC[C@H](N)[C@@H]1COC1CCC(C(C)C)CC1
InChIInChI=1S/C19H37N3O2/c1-4-11-21-19(23)22-12-5-6-17(20)18(22)13-24-16-9-7-15(8-10-16)14(2)3/h14-18H,4-13,20H2,1-3H3,(H,21,23)/t15?,16?,17-,18-/m0/s1
InChIKeyRFYJDUDVVYOIRE-FOIPXRHGSA-N
XLogP3.13
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-3-amino-N-(2-methoxyethyl)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide
CID 166990378
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
(2S,3R)-N-ethyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 163392091
(2R,3S)-N-cyclopropyl-3-(methanesulfonamido)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide
CID 130310170
(2R,3S)-3-amino-N-ethyl-2-[[4-[3-(fluoromethyl)phenyl]cyclohexyl]oxymethyl]piperidine-1-carboxamide
CID 166990421
2-(methoxymethyl)-N-propylpyrrolidine-1-carboxamide
CID 110874580
3-amino-N-ethyl-2-[[4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxymethyl]piperidine-1-carboxamide
CID 166854020
(2S)-1-[(2R,3S)-3-amino-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-1-yl]-2-hydroxypropan-1-one
CID 166854386
N-[(2R,3S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide
CID 140802370
N-[1-(oxetane-3-carbonyl)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide
CID 130310402

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-N-propylpiperidine-1-carboxamide?
The IUPAC name of (2R,3S)-3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-N-propylpiperidine-1-carboxamide (CID 166854143) is (2R,3S)-3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-N-propylpiperidine-1-carboxamide.
What is the SMILES notation for (2R,3S)-3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-N-propylpiperidine-1-carboxamide?
The canonical SMILES for (2R,3S)-3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-N-propylpiperidine-1-carboxamide is CCCNC(=O)N1CCC[C@H](N)[C@@H]1COC1CCC(C(C)C)CC1.
What is the InChIKey of (2R,3S)-3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-N-propylpiperidine-1-carboxamide?
The InChIKey is RFYJDUDVVYOIRE-FOIPXRHGSA-N. The full InChI is InChI=1S/C19H37N3O2/c1-4-11-21-19(23)22-12-5-6-17(20)18(22)13-24-16-9-7-15(8-10-16)14(2)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-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-N-propylpiperidine-1-carboxamide?
(2R,3S)-3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-N-propylpiperidine-1-carboxamide has a molecular weight of 339.52 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 166854143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).