[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone

C23H35N3O2 — CID 118302794

IUPAC[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone
SMILESCOCC1(CN[C@@H]2CC2c2ccccc2)CCN(C(=O)[C@@H]2CCCN2C)CC1
InChIInChI=1S/C23H35N3O2/c1-25-12-6-9-21(25)22(27)26-13-10-23(11-14-26,17-28-2)16-24-20-15-19(20)18-7-4-3-5-8-18/h3-5,7-8,19-21,24H,6,9-17H2,1-2H3/t19?,20-,21+/m1/s1
InChIKeyZOTLDJVYVIFORI-JUODMZLFSA-N
MW385.55 g/mol
LogP2.48
Rot. Bonds7

About [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone

[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone (PubChem CID 118302794) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone
PubChem CID118302794
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone
SMILESCOCC1(CN[C@@H]2CC2c2ccccc2)CCN(C(=O)[C@@H]2CCCN2C)CC1
InChIInChI=1S/C23H35N3O2/c1-25-12-6-9-21(25)22(27)26-13-10-23(11-14-26,17-28-2)16-24-20-15-19(20)18-7-4-3-5-8-18/h3-5,7-8,19-21,24H,6,9-17H2,1-2H3/t19?,20-,21+/m1/s1
InChIKeyZOTLDJVYVIFORI-JUODMZLFSA-N
XLogP2.48
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cypromin
CID 90993
Rolicyprine
CID 60196287
Smac peptido-mimetic 6h
CID 11176734
(2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 11395933
beta-phenyl-D-phenylalanyl-N-propyl-L-prolinamide
CID 25271577
Butoxycarbonylpyrrolidine derivative, 15a
CID 25218682
L-Alanyl-L-Valyl-N-(2,2-Diphenylethyl)-L-Prolinamide
CID 25195344
(6S,7S)-N-hydroxy-6-((R)-3-phenylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide
CID 16108943
(6S,7S)-N-hydroxy-6-(3-phenylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide
CID 44446843
(2S)-N-(2,2-diphenylethyl)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide
CID 57522798
1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone
CID 67379019
(3S,6S)-3-isobutyl-4-((1R,2R)-2-phenylcyclopropanecarbonyl)-6-propylpiperazin-2-one
CID 68158563

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone?
The IUPAC name of [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone (CID 118302794) is [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone.
What is the SMILES notation for [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone?
The canonical SMILES for [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone is COCC1(CN[C@@H]2CC2c2ccccc2)CCN(C(=O)[C@@H]2CCCN2C)CC1.
What is the InChIKey of [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone?
The InChIKey is ZOTLDJVYVIFORI-JUODMZLFSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-25-12-6-9-21(25)22(27)26-13-10-23(11-14-26,17-28-2)16-24-20-15-19(20)18-7-4-3-5-8-18/h3-5,7-8,19-21,24H,6,9-17H2,1-2H3/t19?,20-,21+/m1/s1.
What are the key properties of [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone?
[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone has a molecular weight of 385.55 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone is sourced from PubChem (CID 118302794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).