N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acenaphthylene-1-carboxamide

C27H29N3O — CID 158229022

IUPACN-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acenaphthylene-1-carboxamide
SMILESCN(C)C1CCN(Cc2ccc(NC(=O)C3=Cc4cccc5cccc3c45)cc2)CC1
InChIInChI=1S/C27H29N3O/c1-29(2)23-13-15-30(16-14-23)18-19-9-11-22(12-10-19)28-27(31)25-17-21-7-3-5-20-6-4-8-24(25)26(20)21/h3-12,17,23H,13-16,18H2,1-2H3,(H,28,31)
InChIKeyGEDPKZOYYXLLJM-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.86
Rot. Bonds5

About N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acenaphthylene-1-carboxamide

N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acenaphthylene-1-carboxamide (PubChem CID 158229022) has the molecular formula C27H29N3O and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acenaphthylene-1-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acenaphthylene-1-carboxamide
PubChem CID158229022
Molecular FormulaC27H29N3O
Molecular Weight411.55 g/mol
Exact Mass411.23
IUPAC NameN-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acenaphthylene-1-carboxamide
SMILESCN(C)C1CCN(Cc2ccc(NC(=O)C3=Cc4cccc5cccc3c45)cc2)CC1
InChIInChI=1S/C27H29N3O/c1-29(2)23-13-15-30(16-14-23)18-19-9-11-22(12-10-19)28-27(31)25-17-21-7-3-5-20-6-4-8-24(25)26(20)21/h3-12,17,23H,13-16,18H2,1-2H3,(H,28,31)
InChIKeyGEDPKZOYYXLLJM-UHFFFAOYSA-N
XLogP4.86
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acenaphthylene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]-3-methylbenzamide
CID 145450109
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]naphthalene-1-carboxamide
CID 108760742
2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 105351724
N-[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]acenaphthylene-1-carboxamide
CID 91346773
N-[3-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]phenyl]acetamide
CID 58590945
2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[4-[[4-[[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]acetyl]amino]phenyl]methyl]phenyl]acetamide
CID 53322175
4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
CID 46772046
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53284862
4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 108760627
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284727
N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride
CID 118025180
N-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 63596528

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acenaphthylene-1-carboxamide?
The IUPAC name of N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acenaphthylene-1-carboxamide (CID 158229022) is N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acenaphthylene-1-carboxamide.
What is the SMILES notation for N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acenaphthylene-1-carboxamide?
The canonical SMILES for N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acenaphthylene-1-carboxamide is CN(C)C1CCN(Cc2ccc(NC(=O)C3=Cc4cccc5cccc3c45)cc2)CC1.
What is the InChIKey of N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acenaphthylene-1-carboxamide?
The InChIKey is GEDPKZOYYXLLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O/c1-29(2)23-13-15-30(16-14-23)18-19-9-11-22(12-10-19)28-27(31)25-17-21-7-3-5-20-6-4-8-24(25)26(20)21/h3-12,17,23H,13-16,18H2,1-2H3,(H,28,31).
What are the key properties of N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acenaphthylene-1-carboxamide?
N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acenaphthylene-1-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acenaphthylene-1-carboxamide is sourced from PubChem (CID 158229022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).