N-[2-(dimethylamino)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide

C19H29N3O2 — CID 113003438

IUPACN-[2-(dimethylamino)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
SMILESCc1ccc(C(=O)N2CCC(C(=O)NCCN(C)C)CC2)cc1C
InChIInChI=1S/C19H29N3O2/c1-14-5-6-17(13-15(14)2)19(24)22-10-7-16(8-11-22)18(23)20-9-12-21(3)4/h5-6,13,16H,7-12H2,1-4H3,(H,20,23)
InChIKeyKZMZFBZSVKQVAH-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.83
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide

N-[2-(dimethylamino)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide (PubChem CID 113003438) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
PubChem CID113003438
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[2-(dimethylamino)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
SMILESCc1ccc(C(=O)N2CCC(C(=O)NCCN(C)C)CC2)cc1C
InChIInChI=1S/C19H29N3O2/c1-14-5-6-17(13-15(14)2)19(24)22-10-7-16(8-11-22)18(23)20-9-12-21(3)4/h5-6,13,16H,7-12H2,1-4H3,(H,20,23)
InChIKeyKZMZFBZSVKQVAH-UHFFFAOYSA-N
XLogP1.83
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorobenzoyl)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
CID 113003453
1-(3,4-dimethylbenzoyl)-N-methylpiperidine-4-carboxamide
CID 110350748
N-[2-(dimethylamino)ethyl]-1-(9-oxofluorene-2-carbonyl)piperidine-4-carboxamide
CID 86945861
N-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 86915487
N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 113005012
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139
1-(3,4-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 113006649
1-(3,4-dimethylbenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006126
N-(4-chloro-2-methylphenyl)-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 113007282
[4-(aminomethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 28706771
1-(3,4-dimethoxybenzoyl)-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 113006445
N-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55486323

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide (CID 113003438) is N-[2-(dimethylamino)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide is Cc1ccc(C(=O)N2CCC(C(=O)NCCN(C)C)CC2)cc1C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide?
The InChIKey is KZMZFBZSVKQVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14-5-6-17(13-15(14)2)19(24)22-10-7-16(8-11-22)18(23)20-9-12-21(3)4/h5-6,13,16H,7-12H2,1-4H3,(H,20,23).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113003438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).