(2S)-2-cyclopropyl-2-ethoxy-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]propanamide

C23H36N2O3 — CID 125061179

IUPAC(2S)-2-cyclopropyl-2-ethoxy-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]propanamide
SMILESCCO[C@](C)(C(=O)Nc1ccc(OCCCN2CCC[C@H](C)C2)cc1)C1CC1
InChIInChI=1S/C23H36N2O3/c1-4-28-23(3,19-8-9-19)22(26)24-20-10-12-21(13-11-20)27-16-6-15-25-14-5-7-18(2)17-25/h10-13,18-19H,4-9,14-17H2,1-3H3,(H,24,26)/t18-,23-/m0/s1
InChIKeySCOHBCRROGAADD-MBSDFSHPSA-N
MW388.55 g/mol
LogP4.33
Rot. Bonds10

About (2S)-2-cyclopropyl-2-ethoxy-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]propanamide

(2S)-2-cyclopropyl-2-ethoxy-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]propanamide (PubChem CID 125061179) has the molecular formula C23H36N2O3 and a molecular weight of 388.55 g/mol. Its IUPAC name is (2S)-2-cyclopropyl-2-ethoxy-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-cyclopropyl-2-ethoxy-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]propanamide
PubChem CID125061179
Molecular FormulaC23H36N2O3
Molecular Weight388.55 g/mol
Exact Mass388.27
IUPAC Name(2S)-2-cyclopropyl-2-ethoxy-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]propanamide
SMILESCCO[C@](C)(C(=O)Nc1ccc(OCCCN2CCC[C@H](C)C2)cc1)C1CC1
InChIInChI=1S/C23H36N2O3/c1-4-28-23(3,19-8-9-19)22(26)24-20-10-12-21(13-11-20)27-16-6-15-25-14-5-7-18(2)17-25/h10-13,18-19H,4-9,14-17H2,1-3H3,(H,24,26)/t18-,23-/m0/s1
InChIKeySCOHBCRROGAADD-MBSDFSHPSA-N
XLogP4.33
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.55
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-cyclopropyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide
CID 100717751
(2R)-2-methyl-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxypentanamide
CID 125060699
2-methyl-N-[4-[3-(3-methylpiperidin-1-yl)propoxy]phenyl]-2-propoxypentanamide
CID 133247084
(2R)-2-methyl-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxyhexanamide
CID 125060325
2-ethoxy-2,4-dimethyl-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]pentanamide
CID 133246561
(2R)-2-ethoxy-2,4-dimethyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]pentanamide
CID 125060296
(2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
CID 100734854
(2S)-2-methoxy-2-methyl-N-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]heptanamide
CID 100702037
(2S)-2,4-dimethyl-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxypentanamide
CID 125061203
2-methyl-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2-propoxypropanamide
CID 133246929
2-ethoxy-4-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-(2-methylpropyl)pentanamide
CID 100725916
2-cyclopropyl-2-ethoxy-N-[4-(2-morpholin-4-ylethoxy)phenyl]propanamide
CID 133246889

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropyl-2-ethoxy-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]propanamide?
The IUPAC name of (2S)-2-cyclopropyl-2-ethoxy-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]propanamide (CID 125061179) is (2S)-2-cyclopropyl-2-ethoxy-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]propanamide.
What is the SMILES notation for (2S)-2-cyclopropyl-2-ethoxy-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]propanamide?
The canonical SMILES for (2S)-2-cyclopropyl-2-ethoxy-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]propanamide is CCO[C@](C)(C(=O)Nc1ccc(OCCCN2CCC[C@H](C)C2)cc1)C1CC1.
What is the InChIKey of (2S)-2-cyclopropyl-2-ethoxy-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]propanamide?
The InChIKey is SCOHBCRROGAADD-MBSDFSHPSA-N. The full InChI is InChI=1S/C23H36N2O3/c1-4-28-23(3,19-8-9-19)22(26)24-20-10-12-21(13-11-20)27-16-6-15-25-14-5-7-18(2)17-25/h10-13,18-19H,4-9,14-17H2,1-3H3,(H,24,26)/t18-,23-/m0/s1.
What are the key properties of (2S)-2-cyclopropyl-2-ethoxy-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]propanamide?
(2S)-2-cyclopropyl-2-ethoxy-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]propanamide has a molecular weight of 388.55 g/mol, XLogP of 4.33, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropyl-2-ethoxy-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]propanamide is sourced from PubChem (CID 125061179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).