3-[(3R)-1-[(2-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide

C23H36ClN3O3 — CID 42594098

IUPAC3-[(3R)-1-[(2-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCOc1cc(CN2CCC[C@H](CCC(=O)N(C)C3CCN(C)CC3)C2)c(Cl)cc1O
InChIInChI=1S/C23H36ClN3O3/c1-25-11-8-19(9-12-25)26(2)23(29)7-6-17-5-4-10-27(15-17)16-18-13-22(30-3)21(28)14-20(18)24/h13-14,17,19,28H,4-12,15-16H2,1-3H3/t17-/m1/s1
InChIKeyIQFGQPDIFWZDQS-QGZVFWFLSA-N
MW438.01 g/mol
LogP3.60
Rot. Bonds7

About 3-[(3R)-1-[(2-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide

3-[(3R)-1-[(2-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 42594098) has the molecular formula C23H36ClN3O3 and a molecular weight of 438.01 g/mol. Its IUPAC name is 3-[(3R)-1-[(2-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-[(3R)-1-[(2-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID42594098
Molecular FormulaC23H36ClN3O3
Molecular Weight438.01 g/mol
Exact Mass437.24
IUPAC Name3-[(3R)-1-[(2-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCOc1cc(CN2CCC[C@H](CCC(=O)N(C)C3CCN(C)CC3)C2)c(Cl)cc1O
InChIInChI=1S/C23H36ClN3O3/c1-25-11-8-19(9-12-25)26(2)23(29)7-6-17-5-4-10-27(15-17)16-18-13-22(30-3)21(28)14-20(18)24/h13-14,17,19,28H,4-12,15-16H2,1-3H3/t17-/m1/s1
InChIKeyIQFGQPDIFWZDQS-QGZVFWFLSA-N
XLogP3.60
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.01
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 45192669
3-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 45186883
3-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 42394249
N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3R)-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 42116162
N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 45169935
N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3R)-1-[(4-phenylphenyl)methyl]piperidin-3-yl]propanamide
CID 26326645
3-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 42360456
3-[(3R)-1-[(2-chloro-4,5-dimethoxyphenyl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
CID 26401954
5-chloro-2-methoxy-4-[[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methyl]phenol
CID 28736729
3-[(3S)-1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 25456108
N-[[(3R)-1-[(2-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 42461029
5-chloro-4-[[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl-methylamino]methyl]-2-methoxyphenol
CID 42287648

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[(2-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-[(3R)-1-[(2-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide (CID 42594098) is 3-[(3R)-1-[(2-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-[(3R)-1-[(2-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-[(3R)-1-[(2-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide is COc1cc(CN2CCC[C@H](CCC(=O)N(C)C3CCN(C)CC3)C2)c(Cl)cc1O.
What is the InChIKey of 3-[(3R)-1-[(2-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is IQFGQPDIFWZDQS-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H36ClN3O3/c1-25-11-8-19(9-12-25)26(2)23(29)7-6-17-5-4-10-27(15-17)16-18-13-22(30-3)21(28)14-20(18)24/h13-14,17,19,28H,4-12,15-16H2,1-3H3/t17-/m1/s1.
What are the key properties of 3-[(3R)-1-[(2-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?
3-[(3R)-1-[(2-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 438.01 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-[(2-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 42594098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).