N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-3-phenoxypropanamide

C23H29N3O3 — CID 108554961

IUPACN-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-3-phenoxypropanamide
SMILESCN(C)c1ccc(C(=O)N2CCC(NC(=O)CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C23H29N3O3/c1-25(2)20-10-8-18(9-11-20)23(28)26-15-12-19(13-16-26)24-22(27)14-17-29-21-6-4-3-5-7-21/h3-11,19H,12-17H2,1-2H3,(H,24,27)
InChIKeySUUBQHURLHJYPQ-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.94
Rot. Bonds7

About N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-3-phenoxypropanamide

N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-3-phenoxypropanamide (PubChem CID 108554961) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-3-phenoxypropanamide
PubChem CID108554961
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-3-phenoxypropanamide
SMILESCN(C)c1ccc(C(=O)N2CCC(NC(=O)CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C23H29N3O3/c1-25(2)20-10-8-18(9-11-20)23(28)26-15-12-19(13-16-26)24-22(27)14-17-29-21-6-4-3-5-7-21/h3-11,19H,12-17H2,1-2H3,(H,24,27)
InChIKeySUUBQHURLHJYPQ-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]propanamide
CID 108567076
ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229
ethyl 4-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-oxobutanoate
CID 108567069
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-phenoxypropanamide
CID 108554888
4-phenoxy-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]butanamide
CID 108553607
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 110820896
N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-4-phenoxybutanamide
CID 108553625
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(4-phenylphenyl)butanamide
CID 112804103
2-phenoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108555833
4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 108553445
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551232
N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-phenoxypropanamide
CID 166191503

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-3-phenoxypropanamide?
The IUPAC name of N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-3-phenoxypropanamide (CID 108554961) is N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-3-phenoxypropanamide is CN(C)c1ccc(C(=O)N2CCC(NC(=O)CCOc3ccccc3)CC2)cc1.
What is the InChIKey of N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-3-phenoxypropanamide?
The InChIKey is SUUBQHURLHJYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-25(2)20-10-8-18(9-11-20)23(28)26-15-12-19(13-16-26)24-22(27)14-17-29-21-6-4-3-5-7-21/h3-11,19H,12-17H2,1-2H3,(H,24,27).
What are the key properties of N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-3-phenoxypropanamide?
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-3-phenoxypropanamide has a molecular weight of 395.50 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-3-phenoxypropanamide is sourced from PubChem (CID 108554961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).