3-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N-methylpropanamide

C21H33N3O2 — CID 118302896

IUPAC3-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCN1CCC(CN[C@@H]2CC2c2ccccc2)(COC)CC1
InChIInChI=1S/C21H33N3O2/c1-22-20(25)8-11-24-12-9-21(10-13-24,16-26-2)15-23-19-14-18(19)17-6-4-3-5-7-17/h3-7,18-19,23H,8-16H2,1-2H3,(H,22,25)/t18?,19-/m1/s1
InChIKeyRHKBGPGWXNPALK-MUMRKEEXSA-N
MW359.51 g/mol
LogP2.00
Rot. Bonds9

About 3-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N-methylpropanamide

3-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N-methylpropanamide (PubChem CID 118302896) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 3-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N-methylpropanamide
PubChem CID118302896
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name3-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCN1CCC(CN[C@@H]2CC2c2ccccc2)(COC)CC1
InChIInChI=1S/C21H33N3O2/c1-22-20(25)8-11-24-12-9-21(10-13-24,16-26-2)15-23-19-14-18(19)17-6-4-3-5-7-17/h3-7,18-19,23H,8-16H2,1-2H3,(H,22,25)/t18?,19-/m1/s1
InChIKeyRHKBGPGWXNPALK-MUMRKEEXSA-N
XLogP2.00
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N-methylpropanamide?
The IUPAC name of 3-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N-methylpropanamide (CID 118302896) is 3-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N-methylpropanamide?
The canonical SMILES for 3-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N-methylpropanamide is CNC(=O)CCN1CCC(CN[C@@H]2CC2c2ccccc2)(COC)CC1.
What is the InChIKey of 3-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N-methylpropanamide?
The InChIKey is RHKBGPGWXNPALK-MUMRKEEXSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-22-20(25)8-11-24-12-9-21(10-13-24,16-26-2)15-23-19-14-18(19)17-6-4-3-5-7-17/h3-7,18-19,23H,8-16H2,1-2H3,(H,22,25)/t18?,19-/m1/s1.
What are the key properties of 3-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N-methylpropanamide?
3-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N-methylpropanamide has a molecular weight of 359.51 g/mol, XLogP of 2.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 118302896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).