(2R)-N-(cyclohexylmethyl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide

C18H35N3O2 — CID 98761337

IUPAC(2R)-N-(cyclohexylmethyl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide
SMILESCOCCN1CCN([C@H](C)C(=O)NCC2CCCCC2)C[C@@H]1C
InChIInChI=1S/C18H35N3O2/c1-15-14-21(10-9-20(15)11-12-23-3)16(2)18(22)19-13-17-7-5-4-6-8-17/h15-17H,4-14H2,1-3H3,(H,19,22)/t15-,16+/m0/s1
InChIKeyDQEUGBCVAZNVFZ-JKSUJKDBSA-N
MW325.50 g/mol
LogP1.72
Rot. Bonds7

About (2R)-N-(cyclohexylmethyl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide

(2R)-N-(cyclohexylmethyl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide (PubChem CID 98761337) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is (2R)-N-(cyclohexylmethyl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(cyclohexylmethyl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide
PubChem CID98761337
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Name(2R)-N-(cyclohexylmethyl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide
SMILESCOCCN1CCN([C@H](C)C(=O)NCC2CCCCC2)C[C@@H]1C
InChIInChI=1S/C18H35N3O2/c1-15-14-21(10-9-20(15)11-12-23-3)16(2)18(22)19-13-17-7-5-4-6-8-17/h15-17H,4-14H2,1-3H3,(H,19,22)/t15-,16+/m0/s1
InChIKeyDQEUGBCVAZNVFZ-JKSUJKDBSA-N
XLogP1.72
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(cyclohexylmethyl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide with MolForge

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Related Compounds

(2R)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 98761813
(2S)-N-(cyclohexylmethyl)-2-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propanamide
CID 95766473
N-(cyclohexylmethyl)-2-(4-hydroxypiperidin-1-yl)propanamide
CID 110877674
N-(2-methoxyethyl)-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide
CID 63848663
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 115302045
(2R)-1-(azepan-1-yl)-2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]propan-1-one
CID 98761380
(2R)-2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 124778877
N-(cyclohexylmethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 4880388
N-cyclohexyl-N-ethyl-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide
CID 98765571
N-(cyclohexylmethyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide
CID 129007550
2-amino-4-methoxy-N-[(1-methylpiperidin-3-yl)methyl]butanamide
CID 62475604
N-(cyclopentylmethyl)-2-methylpropanamide
CID 58333395

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclohexylmethyl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(cyclohexylmethyl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide (CID 98761337) is (2R)-N-(cyclohexylmethyl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(cyclohexylmethyl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(cyclohexylmethyl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide is COCCN1CCN([C@H](C)C(=O)NCC2CCCCC2)C[C@@H]1C.
What is the InChIKey of (2R)-N-(cyclohexylmethyl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide?
The InChIKey is DQEUGBCVAZNVFZ-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-15-14-21(10-9-20(15)11-12-23-3)16(2)18(22)19-13-17-7-5-4-6-8-17/h15-17H,4-14H2,1-3H3,(H,19,22)/t15-,16+/m0/s1.
What are the key properties of (2R)-N-(cyclohexylmethyl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide?
(2R)-N-(cyclohexylmethyl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide has a molecular weight of 325.50 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyclohexylmethyl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide is sourced from PubChem (CID 98761337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).