N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetamide

C26H35FN2O2 — CID 56931039

IUPACN-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetamide
SMILESCOc1cccc(CCN2CCC(CC(=O)N[C@@H](c3ccc(F)cc3)C(C)C)CC2)c1
InChIInChI=1S/C26H35FN2O2/c1-19(2)26(22-7-9-23(27)10-8-22)28-25(30)18-21-12-15-29(16-13-21)14-11-20-5-4-6-24(17-20)31-3/h4-10,17,19,21,26H,11-16,18H2,1-3H3,(H,28,30)/t26-/m1/s1
InChIKeySDZMKMVQGRVBRL-AREMUKBSSA-N
MW426.58 g/mol
LogP4.99
Rot. Bonds9

About N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetamide

N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetamide (PubChem CID 56931039) has the molecular formula C26H35FN2O2 and a molecular weight of 426.58 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetamide
PubChem CID56931039
Molecular FormulaC26H35FN2O2
Molecular Weight426.58 g/mol
Exact Mass426.27
IUPAC NameN-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetamide
SMILESCOc1cccc(CCN2CCC(CC(=O)N[C@@H](c3ccc(F)cc3)C(C)C)CC2)c1
InChIInChI=1S/C26H35FN2O2/c1-19(2)26(22-7-9-23(27)10-8-22)28-25(30)18-21-12-15-29(16-13-21)14-11-20-5-4-6-24(17-20)31-3/h4-10,17,19,21,26H,11-16,18H2,1-3H3,(H,28,30)/t26-/m1/s1
InChIKeySDZMKMVQGRVBRL-AREMUKBSSA-N
XLogP4.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-3-[1-(2-phenylethyl)piperidin-4-yl]urea
CID 56930892
2-[1-[2-[2-(2-methoxyethoxy)phenyl]ethyl]piperidin-4-yl]-N-[(1R)-2-methyl-1-(4-methylphenyl)propyl]acetamide
CID 135177654
1-[2-(3-methoxyphenyl)ethyl]piperidin-4-ol
CID 82083424
2-(4-hydroxypiperidin-1-yl)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 41335963
2-(cyclopropylmethylamino)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119693481
1-(4-fluorophenyl)-3-[3-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]propyl]urea
CID 22393448
2-(1-cyclopropylpiperidin-4-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 110754764
1-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride
CID 127043453
N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-(1-propylpiperidin-4-yl)acetamide
CID 97272567
N'-(3-methoxyphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886956
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 92763021
1-[2-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 82158725

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetamide (CID 56931039) is N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetamide is COc1cccc(CCN2CCC(CC(=O)N[C@@H](c3ccc(F)cc3)C(C)C)CC2)c1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetamide?
The InChIKey is SDZMKMVQGRVBRL-AREMUKBSSA-N. The full InChI is InChI=1S/C26H35FN2O2/c1-19(2)26(22-7-9-23(27)10-8-22)28-25(30)18-21-12-15-29(16-13-21)14-11-20-5-4-6-24(17-20)31-3/h4-10,17,19,21,26H,11-16,18H2,1-3H3,(H,28,30)/t26-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetamide?
N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetamide has a molecular weight of 426.58 g/mol, XLogP of 4.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 56931039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).