1-[1-(5-fluoro-2-pyridinyl)propyl]-N,N-dimethylpiperazine-2-carboxamide

C15H23FN4O — CID 115940603

IUPAC1-[1-(5-fluoro-2-pyridinyl)propyl]-N,N-dimethylpiperazine-2-carboxamide
SMILESCCC(c1ccc(F)cn1)N1CCNCC1C(=O)N(C)C
InChIInChI=1S/C15H23FN4O/c1-4-13(12-6-5-11(16)9-18-12)20-8-7-17-10-14(20)15(21)19(2)3/h5-6,9,13-14,17H,4,7-8,10H2,1-3H3
InChIKeyBXCMOKHWDYWFKN-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.03
Rot. Bonds4

About 1-[1-(5-fluoro-2-pyridinyl)propyl]-N,N-dimethylpiperazine-2-carboxamide

1-[1-(5-fluoro-2-pyridinyl)propyl]-N,N-dimethylpiperazine-2-carboxamide (PubChem CID 115940603) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-[1-(5-fluoro-2-pyridinyl)propyl]-N,N-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-[1-(5-fluoro-2-pyridinyl)propyl]-N,N-dimethylpiperazine-2-carboxamide
PubChem CID115940603
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC Name1-[1-(5-fluoro-2-pyridinyl)propyl]-N,N-dimethylpiperazine-2-carboxamide
SMILESCCC(c1ccc(F)cn1)N1CCNCC1C(=O)N(C)C
InChIInChI=1S/C15H23FN4O/c1-4-13(12-6-5-11(16)9-18-12)20-8-7-17-10-14(20)15(21)19(2)3/h5-6,9,13-14,17H,4,7-8,10H2,1-3H3
InChIKeyBXCMOKHWDYWFKN-UHFFFAOYSA-N
XLogP1.03
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(5-fluoro-2-pyridinyl)ethyl]piperazine-2-carboxylic acid
CID 83125468
1-[4,4-bis(4-fluorophenyl)butyl]-N,N-dimethylpiperazine-2-carboxamide
CID 21295711
1-[1-(2,6-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide
CID 107711438
1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid
CID 112586688
1-[1-(3,5-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide
CID 107707647
1-(1-cyclopropylpropan-2-yl)-N,N-dimethylpiperazine-2-carboxamide
CID 113490132
N-[1-(5-fluoro-2-pyridinyl)propyl]-N-methylazetidin-3-amine
CID 112585653
4-ethyl-1-[1-(5-fluoro-2-pyridinyl)propyl]piperidine-4-carboxylic acid
CID 115941705
ethyl 1-[1-(2-fluorophenyl)propyl]piperazine-2-carboxylate
CID 115996181
5-[1-(5-fluoro-2-pyridinyl)propyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 115940611
1-[1-(5-fluoro-2-pyridinyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984629
3-[1-(5-fluoro-2-pyridinyl)propylamino]-N,N-dimethylpropanamide
CID 112583020

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoro-2-pyridinyl)propyl]-N,N-dimethylpiperazine-2-carboxamide?
The IUPAC name of 1-[1-(5-fluoro-2-pyridinyl)propyl]-N,N-dimethylpiperazine-2-carboxamide (CID 115940603) is 1-[1-(5-fluoro-2-pyridinyl)propyl]-N,N-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for 1-[1-(5-fluoro-2-pyridinyl)propyl]-N,N-dimethylpiperazine-2-carboxamide?
The canonical SMILES for 1-[1-(5-fluoro-2-pyridinyl)propyl]-N,N-dimethylpiperazine-2-carboxamide is CCC(c1ccc(F)cn1)N1CCNCC1C(=O)N(C)C.
What is the InChIKey of 1-[1-(5-fluoro-2-pyridinyl)propyl]-N,N-dimethylpiperazine-2-carboxamide?
The InChIKey is BXCMOKHWDYWFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O/c1-4-13(12-6-5-11(16)9-18-12)20-8-7-17-10-14(20)15(21)19(2)3/h5-6,9,13-14,17H,4,7-8,10H2,1-3H3.
What are the key properties of 1-[1-(5-fluoro-2-pyridinyl)propyl]-N,N-dimethylpiperazine-2-carboxamide?
1-[1-(5-fluoro-2-pyridinyl)propyl]-N,N-dimethylpiperazine-2-carboxamide has a molecular weight of 294.37 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoro-2-pyridinyl)propyl]-N,N-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 115940603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).