N-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide

C18H21FN4O — CID 38946457

IUPACN-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1F)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C18H21FN4O/c19-17-4-2-1-3-16(17)13-21-18(24)23-11-9-22(10-12-23)14-15-5-7-20-8-6-15/h1-8H,9-14H2,(H,21,24)
InChIKeyRWJIAKABXCNPAX-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.25
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide

N-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide (PubChem CID 38946457) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
PubChem CID38946457
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC NameN-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1F)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C18H21FN4O/c19-17-4-2-1-3-16(17)13-21-18(24)23-11-9-22(10-12-23)14-15-5-7-20-8-6-15/h1-8H,9-14H2,(H,21,24)
InChIKeyRWJIAKABXCNPAX-UHFFFAOYSA-N
XLogP2.25
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 27534923
N-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27534875
N-[(2-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 38197349
2-(2-fluorophenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 110709172
N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide
CID 108897499
4-butyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113103771
N-[(2-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113107783
N-[(2-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 51274238
4-[(3,5-difluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide
CID 119061910
N-[(2-fluorophenyl)methyl]-4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carboxamide
CID 119066622
N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
N-[2-(dimethylamino)ethyl]-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113105789

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide (CID 38946457) is N-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide is O=C(NCc1ccccc1F)N1CCN(Cc2ccncc2)CC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The InChIKey is RWJIAKABXCNPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-17-4-2-1-3-16(17)13-21-18(24)23-11-9-22(10-12-23)14-15-5-7-20-8-6-15/h1-8H,9-14H2,(H,21,24).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
N-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 38946457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).