(2S,3R)-N-ethyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide

C21H36N4O2 — CID 163392091

IUPAC(2S,3R)-N-ethyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC[C@@H](c2ccn[nH]2)[C@H]1COC1CCC(C(C)C)CC1
InChIInChI=1S/C21H36N4O2/c1-4-22-21(26)25-13-5-6-18(19-11-12-23-24-19)20(25)14-27-17-9-7-16(8-10-17)15(2)3/h11-12,15-18,20H,4-10,13-14H2,1-3H3,(H,22,26)(H,23,24)/t16?,17?,18-,20+/m0/s1
InChIKeyOACDUBBWAWSWKL-QQGUTBHFSA-N
MW376.55 g/mol
LogP3.92
Rot. Bonds6

About (2S,3R)-N-ethyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide

(2S,3R)-N-ethyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide (PubChem CID 163392091) has the molecular formula C21H36N4O2 and a molecular weight of 376.55 g/mol. Its IUPAC name is (2S,3R)-N-ethyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-ethyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
PubChem CID163392091
Molecular FormulaC21H36N4O2
Molecular Weight376.55 g/mol
Exact Mass376.28
IUPAC Name(2S,3R)-N-ethyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC[C@@H](c2ccn[nH]2)[C@H]1COC1CCC(C(C)C)CC1
InChIInChI=1S/C21H36N4O2/c1-4-22-21(26)25-13-5-6-18(19-11-12-23-24-19)20(25)14-27-17-9-7-16(8-10-17)15(2)3/h11-12,15-18,20H,4-10,13-14H2,1-3H3,(H,22,26)(H,23,24)/t16?,17?,18-,20+/m0/s1
InChIKeyOACDUBBWAWSWKL-QQGUTBHFSA-N
XLogP3.92
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3R)-N-ethyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-ethyl-3-(1H-pyrazol-5-yl)-2-[[4-(2,3,6-trifluorophenyl)cyclohexyl]oxymethyl]piperidine-1-carboxamide
CID 170656026
(2-chlorophenyl)methyl (2R,3S)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 163391985
(2R,3S)-N-(cyclobutylmethyl)-2-[(4-phenylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 163392164
(2R,3S)-N-(1-methoxypropan-2-yl)-2-[(4-phenylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 163392322
(2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxylic acid
CID 174159975
methyl (2R)-2-[(4-phenylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 163392222
2-oxopropyl (2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 163392338
(2-ethylcyclopropyl)-[2-[(4-phenylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 174201055
(2-methoxy-2-oxoethyl) (2R)-2-[(4-phenylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 163392218
but-2-ynyl (2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 163392280
(2R,3S)-3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-N-propylpiperidine-1-carboxamide
CID 166854143
pyridin-3-yl 2-[(4-phenylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 163392063

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-ethyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of (2S,3R)-N-ethyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide (CID 163392091) is (2S,3R)-N-ethyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2S,3R)-N-ethyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for (2S,3R)-N-ethyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide is CCNC(=O)N1CCC[C@@H](c2ccn[nH]2)[C@H]1COC1CCC(C(C)C)CC1.
What is the InChIKey of (2S,3R)-N-ethyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The InChIKey is OACDUBBWAWSWKL-QQGUTBHFSA-N. The full InChI is InChI=1S/C21H36N4O2/c1-4-22-21(26)25-13-5-6-18(19-11-12-23-24-19)20(25)14-27-17-9-7-16(8-10-17)15(2)3/h11-12,15-18,20H,4-10,13-14H2,1-3H3,(H,22,26)(H,23,24)/t16?,17?,18-,20+/m0/s1.
What are the key properties of (2S,3R)-N-ethyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
(2S,3R)-N-ethyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide has a molecular weight of 376.55 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-ethyl-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 163392091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).