N,N-dimethyl-4-(5-phenylpyridine-3-carbonyl)piperazine-1-carboxamide

C19H22N4O2 — CID 71920561

IUPACN,N-dimethyl-4-(5-phenylpyridine-3-carbonyl)piperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)c2cncc(-c3ccccc3)c2)CC1
InChIInChI=1S/C19H22N4O2/c1-21(2)19(25)23-10-8-22(9-11-23)18(24)17-12-16(13-20-14-17)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3
InChIKeyGQAPRGHIPHYXID-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.19
Rot. Bonds2

About N,N-dimethyl-4-(5-phenylpyridine-3-carbonyl)piperazine-1-carboxamide

N,N-dimethyl-4-(5-phenylpyridine-3-carbonyl)piperazine-1-carboxamide (PubChem CID 71920561) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N,N-dimethyl-4-(5-phenylpyridine-3-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(5-phenylpyridine-3-carbonyl)piperazine-1-carboxamide
PubChem CID71920561
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN,N-dimethyl-4-(5-phenylpyridine-3-carbonyl)piperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)c2cncc(-c3ccccc3)c2)CC1
InChIInChI=1S/C19H22N4O2/c1-21(2)19(25)23-10-8-22(9-11-23)18(24)17-12-16(13-20-14-17)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3
InChIKeyGQAPRGHIPHYXID-UHFFFAOYSA-N
XLogP2.19
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzoyl-N,N-dimethylpiperazine-1-carboxamide
CID 1121209
[4-(methylamino)piperidin-1-yl]-(5-phenyl-3-pyridinyl)methanone
CID 119561943
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-phenyl-3-pyridinyl)methanone
CID 120818980
(4-methylpiperidin-1-yl)-[5-(4-phenoxyphenyl)-3-pyridinyl]methanone
CID 46032979
[5-(4-chlorophenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 42845797
(4-ethylpiperazin-1-yl)-[5-(3-fluorophenyl)-3-pyridinyl]methanone
CID 46032886
1-[4-[5-(morpholine-4-carbonyl)-3-pyridinyl]phenyl]ethanone
CID 42845751
1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone
CID 110755413
5-[4-[4-[3-(dimethylamino)benzoyl]piperazine-1-carbonyl]phenyl]-N-propan-2-ylpyridine-3-carboxamide
CID 122394905
(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]methanone
CID 109104427
5-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109104691
[2-(1-aminoethyl)piperidin-1-yl]-(5-phenyl-3-pyridinyl)methanone;dihydrochloride
CID 119436132

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(5-phenylpyridine-3-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-(5-phenylpyridine-3-carbonyl)piperazine-1-carboxamide (CID 71920561) is N,N-dimethyl-4-(5-phenylpyridine-3-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-(5-phenylpyridine-3-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-(5-phenylpyridine-3-carbonyl)piperazine-1-carboxamide is CN(C)C(=O)N1CCN(C(=O)c2cncc(-c3ccccc3)c2)CC1.
What is the InChIKey of N,N-dimethyl-4-(5-phenylpyridine-3-carbonyl)piperazine-1-carboxamide?
The InChIKey is GQAPRGHIPHYXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-21(2)19(25)23-10-8-22(9-11-23)18(24)17-12-16(13-20-14-17)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(5-phenylpyridine-3-carbonyl)piperazine-1-carboxamide?
N,N-dimethyl-4-(5-phenylpyridine-3-carbonyl)piperazine-1-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(5-phenylpyridine-3-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 71920561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).