N-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-methylphenyl]-2-(2-methylpyrrolidin-1-yl)acetamide

C24H37N3O2 — CID 72679466

IUPACN-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-methylphenyl]-2-(2-methylpyrrolidin-1-yl)acetamide
SMILESCc1cc(OC2CCN(C3CCCC3)CC2)ccc1NC(=O)CN1CCCC1C
InChIInChI=1S/C24H37N3O2/c1-18-16-22(29-21-11-14-26(15-12-21)20-7-3-4-8-20)9-10-23(18)25-24(28)17-27-13-5-6-19(27)2/h9-10,16,19-21H,3-8,11-15,17H2,1-2H3,(H,25,28)
InChIKeyMNBRZCOYDZYLDO-UHFFFAOYSA-N
MW399.58 g/mol
LogP4.20
Rot. Bonds6

About N-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-methylphenyl]-2-(2-methylpyrrolidin-1-yl)acetamide

N-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-methylphenyl]-2-(2-methylpyrrolidin-1-yl)acetamide (PubChem CID 72679466) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is N-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-methylphenyl]-2-(2-methylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-methylphenyl]-2-(2-methylpyrrolidin-1-yl)acetamide
PubChem CID72679466
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC NameN-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-methylphenyl]-2-(2-methylpyrrolidin-1-yl)acetamide
SMILESCc1cc(OC2CCN(C3CCCC3)CC2)ccc1NC(=O)CN1CCCC1C
InChIInChI=1S/C24H37N3O2/c1-18-16-22(29-21-11-14-26(15-12-21)20-7-3-4-8-20)9-10-23(18)25-24(28)17-27-13-5-6-19(27)2/h9-10,16,19-21H,3-8,11-15,17H2,1-2H3,(H,25,28)
InChIKeyMNBRZCOYDZYLDO-UHFFFAOYSA-N
XLogP4.20
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583301
N-(2-methylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 7332900
N-(2-chloro-4-methylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2412165
N-(4-amino-2-chlorophenyl)-2-(2-methylpyrrolidin-1-yl)acetamide
CID 54882152
N-(2-fluoro-4-methylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 17403289
N-(2-fluoro-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583449
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-(4-amino-2-methylphenyl)acetamide
CID 65319594
N-(4-chloro-2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583329
N-(2,6-dimethylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 6994156
N-(4-amino-2-methylphenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide
CID 54882930
N-(4-amino-2-methylphenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide
CID 62345348
N-(4-ethoxyphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583349

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-methylphenyl]-2-(2-methylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-methylphenyl]-2-(2-methylpyrrolidin-1-yl)acetamide (CID 72679466) is N-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-methylphenyl]-2-(2-methylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-methylphenyl]-2-(2-methylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-methylphenyl]-2-(2-methylpyrrolidin-1-yl)acetamide is Cc1cc(OC2CCN(C3CCCC3)CC2)ccc1NC(=O)CN1CCCC1C.
What is the InChIKey of N-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-methylphenyl]-2-(2-methylpyrrolidin-1-yl)acetamide?
The InChIKey is MNBRZCOYDZYLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-18-16-22(29-21-11-14-26(15-12-21)20-7-3-4-8-20)9-10-23(18)25-24(28)17-27-13-5-6-19(27)2/h9-10,16,19-21H,3-8,11-15,17H2,1-2H3,(H,25,28).
What are the key properties of N-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-methylphenyl]-2-(2-methylpyrrolidin-1-yl)acetamide?
N-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-methylphenyl]-2-(2-methylpyrrolidin-1-yl)acetamide has a molecular weight of 399.58 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-methylphenyl]-2-(2-methylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 72679466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).