N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylmethoxyacetamide

C23H29N3O3 — CID 42747286

IUPACN-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylmethoxyacetamide
SMILESCN(C)c1ccc(NC(=O)COCc2ccccc2)cc1C(=O)N1CCCCC1
InChIInChI=1S/C23H29N3O3/c1-25(2)21-12-11-19(15-20(21)23(28)26-13-7-4-8-14-26)24-22(27)17-29-16-18-9-5-3-6-10-18/h3,5-6,9-12,15H,4,7-8,13-14,16-17H2,1-2H3,(H,24,27)
InChIKeyYIALDJFVKMIKGF-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.53
Rot. Bonds7

About N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylmethoxyacetamide

N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylmethoxyacetamide (PubChem CID 42747286) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylmethoxyacetamide
PubChem CID42747286
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylmethoxyacetamide
SMILESCN(C)c1ccc(NC(=O)COCc2ccccc2)cc1C(=O)N1CCCCC1
InChIInChI=1S/C23H29N3O3/c1-25(2)21-12-11-19(15-20(21)23(28)26-13-7-4-8-14-26)24-22(27)17-29-16-18-9-5-3-6-10-18/h3,5-6,9-12,15H,4,7-8,13-14,16-17H2,1-2H3,(H,24,27)
InChIKeyYIALDJFVKMIKGF-UHFFFAOYSA-N
XLogP3.53
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.53
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

N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]butanamide
CID 42747271
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-4-phenylbenzamide
CID 3877371
N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]-2-phenylmethoxyacetamide
CID 1066466
2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 42751255
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]naphthalene-1-carboxamide
CID 4028194
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-methylpropanamide
CID 42747272
N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenylbutanamide
CID 5204789
1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2-methylphenyl)urea
CID 4310532
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]naphthalene-2-carboxamide
CID 3547504
2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]propanamide
CID 4666114
1-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-3-(4-methylphenyl)urea
CID 4561226
1-(3-chlorophenyl)-3-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]urea
CID 42659108

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylmethoxyacetamide?
The IUPAC name of N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylmethoxyacetamide (CID 42747286) is N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylmethoxyacetamide is CN(C)c1ccc(NC(=O)COCc2ccccc2)cc1C(=O)N1CCCCC1.
What is the InChIKey of N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylmethoxyacetamide?
The InChIKey is YIALDJFVKMIKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-25(2)21-12-11-19(15-20(21)23(28)26-13-7-4-8-14-26)24-22(27)17-29-16-18-9-5-3-6-10-18/h3,5-6,9-12,15H,4,7-8,13-14,16-17H2,1-2H3,(H,24,27).
What are the key properties of N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylmethoxyacetamide?
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylmethoxyacetamide has a molecular weight of 395.50 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 42747286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).