N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-2-[4-(4-chlorophenyl)piperidin-1-yl]acetamide

C26H33ClN4O2 — CID 58867616

IUPACN-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-2-[4-(4-chlorophenyl)piperidin-1-yl]acetamide
SMILESCC(=O)N(C)C1CCN(c2ccc(NC(=O)CN3CCC(c4ccc(Cl)cc4)CC3)cc2)C1
InChIInChI=1S/C26H33ClN4O2/c1-19(32)29(2)25-13-16-31(17-25)24-9-7-23(8-10-24)28-26(33)18-30-14-11-21(12-15-30)20-3-5-22(27)6-4-20/h3-10,21,25H,11-18H2,1-2H3,(H,28,33)
InChIKeyCSTCUOBESOVHEL-UHFFFAOYSA-N
MW469.03 g/mol
LogP4.22
Rot. Bonds6

About N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-2-[4-(4-chlorophenyl)piperidin-1-yl]acetamide

N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-2-[4-(4-chlorophenyl)piperidin-1-yl]acetamide (PubChem CID 58867616) has the molecular formula C26H33ClN4O2 and a molecular weight of 469.03 g/mol. Its IUPAC name is N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-2-[4-(4-chlorophenyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-2-[4-(4-chlorophenyl)piperidin-1-yl]acetamide
PubChem CID58867616
Molecular FormulaC26H33ClN4O2
Molecular Weight469.03 g/mol
Exact Mass468.23
IUPAC NameN-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-2-[4-(4-chlorophenyl)piperidin-1-yl]acetamide
SMILESCC(=O)N(C)C1CCN(c2ccc(NC(=O)CN3CCC(c4ccc(Cl)cc4)CC3)cc2)C1
InChIInChI=1S/C26H33ClN4O2/c1-19(32)29(2)25-13-16-31(17-25)24-9-7-23(8-10-24)28-26(33)18-30-14-11-21(12-15-30)20-3-5-22(27)6-4-20/h3-10,21,25H,11-18H2,1-2H3,(H,28,33)
InChIKeyCSTCUOBESOVHEL-UHFFFAOYSA-N
XLogP4.22
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.03
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[4-(4-chlorophenyl)piperidin-1-yl] N-[4-[3-[acetyl(methyl)amino]azetidin-1-yl]phenyl]carbamate
CID 91391170
4-(4-chlorophenyl)-N-[4-[(3R)-3-[methyl(pyrimidin-2-yl)amino]pyrrolidin-1-yl]phenyl]piperidine-1-carboxamide
CID 58867411
[4-(4-chlorophenyl)piperidin-1-yl] N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]-3-fluorophenyl]carbamate
CID 90950604
2-chloro-N-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]phenyl]acetamide
CID 67147914
2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 60561318
[4-[3-[methyl-(2-piperidin-1-ylacetyl)amino]pyrrolidin-1-yl]phenyl]carbamic acid
CID 91302941
N-(4-chlorophenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81493727
4-(4-chlorophenyl)-N-[4-[3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]phenyl]piperidine-1-carboxamide
CID 58867575
N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 58867261
4-(4-chlorophenyl)-N-[4-[3-[3-(dimethylamino)-2-oxopyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]piperidine-1-carboxamide;molecular hydrogen
CID 160666769
N-(4-hydroxyphenyl)-2-(4-phenylpiperidin-1-yl)acetamide
CID 47021714
2-(4-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 8543875

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-2-[4-(4-chlorophenyl)piperidin-1-yl]acetamide?
The IUPAC name of N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-2-[4-(4-chlorophenyl)piperidin-1-yl]acetamide (CID 58867616) is N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-2-[4-(4-chlorophenyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-2-[4-(4-chlorophenyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-2-[4-(4-chlorophenyl)piperidin-1-yl]acetamide is CC(=O)N(C)C1CCN(c2ccc(NC(=O)CN3CCC(c4ccc(Cl)cc4)CC3)cc2)C1.
What is the InChIKey of N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-2-[4-(4-chlorophenyl)piperidin-1-yl]acetamide?
The InChIKey is CSTCUOBESOVHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN4O2/c1-19(32)29(2)25-13-16-31(17-25)24-9-7-23(8-10-24)28-26(33)18-30-14-11-21(12-15-30)20-3-5-22(27)6-4-20/h3-10,21,25H,11-18H2,1-2H3,(H,28,33).
What are the key properties of N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-2-[4-(4-chlorophenyl)piperidin-1-yl]acetamide?
N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-2-[4-(4-chlorophenyl)piperidin-1-yl]acetamide has a molecular weight of 469.03 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-2-[4-(4-chlorophenyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 58867616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).