1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone

C23H35N3O3 — CID 118302881

IUPAC1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESCOCC1(CN[C@@H]2CC2c2ccccc2)CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C23H35N3O3/c1-28-18-23(17-24-21-15-20(21)19-5-3-2-4-6-19)7-9-26(10-8-23)22(27)16-25-11-13-29-14-12-25/h2-6,20-21,24H,7-18H2,1H3/t20?,21-/m1/s1
InChIKeyMLAPTJHWZVEOSU-BPGUCPLFSA-N
MW401.55 g/mol
LogP1.72
Rot. Bonds8

About 1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone

1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 118302881) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID118302881
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC Name1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESCOCC1(CN[C@@H]2CC2c2ccccc2)CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C23H35N3O3/c1-28-18-23(17-24-21-15-20(21)19-5-3-2-4-6-19)7-9-26(10-8-23)22(27)16-25-11-13-29-14-12-25/h2-6,20-21,24H,7-18H2,1H3/t20?,21-/m1/s1
InChIKeyMLAPTJHWZVEOSU-BPGUCPLFSA-N
XLogP1.72
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone (CID 118302881) is 1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone is COCC1(CN[C@@H]2CC2c2ccccc2)CCN(C(=O)CN2CCOCC2)CC1.
What is the InChIKey of 1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is MLAPTJHWZVEOSU-BPGUCPLFSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-28-18-23(17-24-21-15-20(21)19-5-3-2-4-6-19)7-9-26(10-8-23)22(27)16-25-11-13-29-14-12-25/h2-6,20-21,24H,7-18H2,1H3/t20?,21-/m1/s1.
What are the key properties of 1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 401.55 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 118302881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).