N-[2-[(1S,2R,3R)-3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxycyclopentyl]oxyphenyl]acetamide

C24H29ClN2O4 — CID 91554792

IUPACN-[2-[(1S,2R,3R)-3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxycyclopentyl]oxyphenyl]acetamide
SMILESCC(=O)Nc1ccccc1O[C@H]1CC[C@@H](N2CCC(Oc3ccc(Cl)cc3)CC2)[C@H]1O
InChIInChI=1S/C24H29ClN2O4/c1-16(28)26-20-4-2-3-5-22(20)31-23-11-10-21(24(23)29)27-14-12-19(13-15-27)30-18-8-6-17(25)7-9-18/h2-9,19,21,23-24,29H,10-15H2,1H3,(H,26,28)/t21-,23+,24-/m1/s1
InChIKeyUBFXVRHGJOVGKQ-YFNKSVMNSA-N
MW444.96 g/mol
LogP4.11
Rot. Bonds6

About N-[2-[(1S,2R,3R)-3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxycyclopentyl]oxyphenyl]acetamide

N-[2-[(1S,2R,3R)-3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxycyclopentyl]oxyphenyl]acetamide (PubChem CID 91554792) has the molecular formula C24H29ClN2O4 and a molecular weight of 444.96 g/mol. Its IUPAC name is N-[2-[(1S,2R,3R)-3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxycyclopentyl]oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(1S,2R,3R)-3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxycyclopentyl]oxyphenyl]acetamide
PubChem CID91554792
Molecular FormulaC24H29ClN2O4
Molecular Weight444.96 g/mol
Exact Mass444.18
IUPAC NameN-[2-[(1S,2R,3R)-3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxycyclopentyl]oxyphenyl]acetamide
SMILESCC(=O)Nc1ccccc1O[C@H]1CC[C@@H](N2CCC(Oc3ccc(Cl)cc3)CC2)[C@H]1O
InChIInChI=1S/C24H29ClN2O4/c1-16(28)26-20-4-2-3-5-22(20)31-23-11-10-21(24(23)29)27-14-12-19(13-15-27)30-18-8-6-17(25)7-9-18/h2-9,19,21,23-24,29H,10-15H2,1H3,(H,26,28)/t21-,23+,24-/m1/s1
InChIKeyUBFXVRHGJOVGKQ-YFNKSVMNSA-N
XLogP4.11
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.96
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 10159022
N-[2-[3-[(3S)-3-(4-chlorophenoxy)pyrrolidin-1-yl]-3-hydroxypropoxy]phenyl]acetamide;hydrochloride
CID 174457672
N-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenyl]acetamide
CID 166281479
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024
N-(4-acetamidobenzoyl)-4-(4-chlorophenoxy)piperidine-1-carboxamide
CID 68972565
methyl (2S,4S)-1-[3-(2-acetamidophenoxy)-2-hydroxypropyl]-4-(4-chlorophenoxy)pyrrolidine-2-carboxylate;hydrochloride
CID 86759800
(2S,4S)-1-[3-(2-acetamidophenoxy)-2-hydroxypropyl]-4-(4-chlorophenoxy)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 86759799
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-cyclopentyloxyphenyl)acetamide
CID 55807650
(1R,2R,6R)-2-amino-6-[2-(4-chlorophenoxy)phenoxy]cyclohexan-1-ol
CID 166011973
(2S)-2-(4-chlorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 99971545
(2-acetamidophenyl) hypochlorite
CID 150463309
2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfanyl-N-hydroxy-6-methoxybenzamide
CID 142096195

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S,2R,3R)-3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxycyclopentyl]oxyphenyl]acetamide?
The IUPAC name of N-[2-[(1S,2R,3R)-3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxycyclopentyl]oxyphenyl]acetamide (CID 91554792) is N-[2-[(1S,2R,3R)-3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxycyclopentyl]oxyphenyl]acetamide.
What is the SMILES notation for N-[2-[(1S,2R,3R)-3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxycyclopentyl]oxyphenyl]acetamide?
The canonical SMILES for N-[2-[(1S,2R,3R)-3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxycyclopentyl]oxyphenyl]acetamide is CC(=O)Nc1ccccc1O[C@H]1CC[C@@H](N2CCC(Oc3ccc(Cl)cc3)CC2)[C@H]1O.
What is the InChIKey of N-[2-[(1S,2R,3R)-3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxycyclopentyl]oxyphenyl]acetamide?
The InChIKey is UBFXVRHGJOVGKQ-YFNKSVMNSA-N. The full InChI is InChI=1S/C24H29ClN2O4/c1-16(28)26-20-4-2-3-5-22(20)31-23-11-10-21(24(23)29)27-14-12-19(13-15-27)30-18-8-6-17(25)7-9-18/h2-9,19,21,23-24,29H,10-15H2,1H3,(H,26,28)/t21-,23+,24-/m1/s1.
What are the key properties of N-[2-[(1S,2R,3R)-3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxycyclopentyl]oxyphenyl]acetamide?
N-[2-[(1S,2R,3R)-3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxycyclopentyl]oxyphenyl]acetamide has a molecular weight of 444.96 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S,2R,3R)-3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxycyclopentyl]oxyphenyl]acetamide is sourced from PubChem (CID 91554792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).