(2S)-N-(cyclohexylmethyl)-2-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propanamide

C19H37N3O2 — CID 95766473

IUPAC(2S)-N-(cyclohexylmethyl)-2-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propanamide
SMILESCC[C@@H]1CN([C@@H](C)C(=O)NCC2CCCCC2)CCN1C[C@@H](C)O
InChIInChI=1S/C19H37N3O2/c1-4-18-14-21(10-11-22(18)13-15(2)23)16(3)19(24)20-12-17-8-6-5-7-9-17/h15-18,23H,4-14H2,1-3H3,(H,20,24)/t15-,16+,18-/m1/s1
InChIKeyYOBDMUMUENBDNC-SOLBZPMBSA-N
MW339.52 g/mol
LogP1.85
Rot. Bonds7

About (2S)-N-(cyclohexylmethyl)-2-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propanamide

(2S)-N-(cyclohexylmethyl)-2-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propanamide (PubChem CID 95766473) has the molecular formula C19H37N3O2 and a molecular weight of 339.52 g/mol. Its IUPAC name is (2S)-N-(cyclohexylmethyl)-2-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(cyclohexylmethyl)-2-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propanamide
PubChem CID95766473
Molecular FormulaC19H37N3O2
Molecular Weight339.52 g/mol
Exact Mass339.29
IUPAC Name(2S)-N-(cyclohexylmethyl)-2-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propanamide
SMILESCC[C@@H]1CN([C@@H](C)C(=O)NCC2CCCCC2)CCN1C[C@@H](C)O
InChIInChI=1S/C19H37N3O2/c1-4-18-14-21(10-11-22(18)13-15(2)23)16(3)19(24)20-12-17-8-6-5-7-9-17/h15-18,23H,4-14H2,1-3H3,(H,20,24)/t15-,16+,18-/m1/s1
InChIKeyYOBDMUMUENBDNC-SOLBZPMBSA-N
XLogP1.85
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(cyclohexylmethyl)-2-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propanamide with MolForge

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Related Compounds

2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 56802896
(2R)-N-(cyclohexylmethyl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide
CID 98761337
N-(cyclohexylmethyl)-2-(4-hydroxypiperidin-1-yl)propanamide
CID 110877674
(2R)-N-cyclohexyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide
CID 98761401
2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 71878628
(2R)-2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 124778877
(2R)-N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide
CID 98761402
N-(cyclohexylmethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 4880388
N-(cyclopentylmethyl)-2-methylpropanamide
CID 58333395
N-(cyclohexylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 4030737
methyl 1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 78921832
N-butyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide
CID 61204053

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclohexylmethyl)-2-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(cyclohexylmethyl)-2-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propanamide (CID 95766473) is (2S)-N-(cyclohexylmethyl)-2-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(cyclohexylmethyl)-2-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(cyclohexylmethyl)-2-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propanamide is CC[C@@H]1CN([C@@H](C)C(=O)NCC2CCCCC2)CCN1C[C@@H](C)O.
What is the InChIKey of (2S)-N-(cyclohexylmethyl)-2-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propanamide?
The InChIKey is YOBDMUMUENBDNC-SOLBZPMBSA-N. The full InChI is InChI=1S/C19H37N3O2/c1-4-18-14-21(10-11-22(18)13-15(2)23)16(3)19(24)20-12-17-8-6-5-7-9-17/h15-18,23H,4-14H2,1-3H3,(H,20,24)/t15-,16+,18-/m1/s1.
What are the key properties of (2S)-N-(cyclohexylmethyl)-2-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propanamide?
(2S)-N-(cyclohexylmethyl)-2-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propanamide has a molecular weight of 339.52 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclohexylmethyl)-2-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 95766473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).