N-[2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-4-yl]ethyl]pyrazine-2-carboxamide

C19H21F2N5O2 — CID 91903616

IUPACN-[2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-4-yl]ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCC1CCN(C(=O)Nc2cc(F)ccc2F)CC1)c1cnccn1
InChIInChI=1S/C19H21F2N5O2/c20-14-1-2-15(21)16(11-14)25-19(28)26-9-4-13(5-10-26)3-6-24-18(27)17-12-22-7-8-23-17/h1-2,7-8,11-13H,3-6,9-10H2,(H,24,27)(H,25,28)
InChIKeyLEWLTYPATZIBOX-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.82
Rot. Bonds5

About N-[2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-4-yl]ethyl]pyrazine-2-carboxamide

N-[2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-4-yl]ethyl]pyrazine-2-carboxamide (PubChem CID 91903616) has the molecular formula C19H21F2N5O2 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-[2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-4-yl]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-4-yl]ethyl]pyrazine-2-carboxamide
PubChem CID91903616
Molecular FormulaC19H21F2N5O2
Molecular Weight389.41 g/mol
Exact Mass389.17
IUPAC NameN-[2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-4-yl]ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCC1CCN(C(=O)Nc2cc(F)ccc2F)CC1)c1cnccn1
InChIInChI=1S/C19H21F2N5O2/c20-14-1-2-15(21)16(11-14)25-19(28)26-9-4-13(5-10-26)3-6-24-18(27)17-12-22-7-8-23-17/h1-2,7-8,11-13H,3-6,9-10H2,(H,24,27)(H,25,28)
InChIKeyLEWLTYPATZIBOX-UHFFFAOYSA-N
XLogP2.82
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-difluorophenyl)-4-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]piperidine-1-carboxamide
CID 91903624
N-(2,5-difluorophenyl)-4-[2-(3-methoxypropanoylamino)ethyl]piperidine-1-carboxamide
CID 91913300
4-(2-aminoethyl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide;dihydrochloride
CID 155823379
N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazine-2-carboxamide
CID 141475460
N-[2-[1-[(4-fluorophenyl)carbamoyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide
CID 91913215
N-[2-[(2S,5R,6S)-5-[(2,5-difluorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide
CID 54639527
N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223019
4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 56773384
N-[2-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
CID 110795606
N-[2-[1-[(2-fluorophenyl)carbamoyl]piperidin-4-yl]ethyl]-3H-benzimidazole-5-carboxamide
CID 91911279
4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylic acid
CID 154500129
4-[2-[(3-fluorobenzoyl)amino]ethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 91903544

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-4-yl]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-4-yl]ethyl]pyrazine-2-carboxamide (CID 91903616) is N-[2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-4-yl]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-4-yl]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-4-yl]ethyl]pyrazine-2-carboxamide is O=C(NCCC1CCN(C(=O)Nc2cc(F)ccc2F)CC1)c1cnccn1.
What is the InChIKey of N-[2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-4-yl]ethyl]pyrazine-2-carboxamide?
The InChIKey is LEWLTYPATZIBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5O2/c20-14-1-2-15(21)16(11-14)25-19(28)26-9-4-13(5-10-26)3-6-24-18(27)17-12-22-7-8-23-17/h1-2,7-8,11-13H,3-6,9-10H2,(H,24,27)(H,25,28).
What are the key properties of N-[2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-4-yl]ethyl]pyrazine-2-carboxamide?
N-[2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-4-yl]ethyl]pyrazine-2-carboxamide has a molecular weight of 389.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-4-yl]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 91903616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).