[4-[N-ethyl-C-(4-fluorophenyl)carbonimidoyl]piperidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone

C26H33FN4O — CID 142137779

IUPAC[4-[N-ethyl-C-(4-fluorophenyl)carbonimidoyl]piperidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
SMILESCC/N=C(\c1ccc(F)cc1)C1CCN(C(=O)C2CCN(Cc3ccncc3)CC2)CC1
InChIInChI=1S/C26H33FN4O/c1-2-29-25(21-3-5-24(27)6-4-21)22-11-17-31(18-12-22)26(32)23-9-15-30(16-10-23)19-20-7-13-28-14-8-20/h3-8,13-14,22-23H,2,9-12,15-19H2,1H3/b29-25+
InChIKeyJNYHKMMJHCQEND-XLVZBRSZSA-N
MW436.58 g/mol
LogP4.18
Rot. Bonds6

About [4-[N-ethyl-C-(4-fluorophenyl)carbonimidoyl]piperidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone

[4-[N-ethyl-C-(4-fluorophenyl)carbonimidoyl]piperidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone (PubChem CID 142137779) has the molecular formula C26H33FN4O and a molecular weight of 436.58 g/mol. Its IUPAC name is [4-[N-ethyl-C-(4-fluorophenyl)carbonimidoyl]piperidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-[N-ethyl-C-(4-fluorophenyl)carbonimidoyl]piperidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
PubChem CID142137779
Molecular FormulaC26H33FN4O
Molecular Weight436.58 g/mol
Exact Mass436.26
IUPAC Name[4-[N-ethyl-C-(4-fluorophenyl)carbonimidoyl]piperidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
SMILESCC/N=C(\c1ccc(F)cc1)C1CCN(C(=O)C2CCN(Cc3ccncc3)CC2)CC1
InChIInChI=1S/C26H33FN4O/c1-2-29-25(21-3-5-24(27)6-4-21)22-11-17-31(18-12-22)26(32)23-9-15-30(16-10-23)19-20-7-13-28-14-8-20/h3-8,13-14,22-23H,2,9-12,15-19H2,1H3/b29-25+
InChIKeyJNYHKMMJHCQEND-XLVZBRSZSA-N
XLogP4.18
TPSA48.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 20754558
(4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 161046033
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 10180603
2-[[(4-chlorophenyl)-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]methylidene]amino]oxy-1-morpholin-4-ylethanone
CID 59275091
cyclohexyl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 78798588
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-C-(4-chlorophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]methanone
CID 21306782
[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 10271980
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[N-methoxy-C-(4-methylphenyl)carbonimidoyl]piperidin-1-yl]methanone
CID 145470599
[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 70310445
[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 807342
[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 45014849
[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 94532765

Frequently Asked Questions

What is the IUPAC name of [4-[N-ethyl-C-(4-fluorophenyl)carbonimidoyl]piperidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone?
The IUPAC name of [4-[N-ethyl-C-(4-fluorophenyl)carbonimidoyl]piperidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone (CID 142137779) is [4-[N-ethyl-C-(4-fluorophenyl)carbonimidoyl]piperidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-[N-ethyl-C-(4-fluorophenyl)carbonimidoyl]piperidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone?
The canonical SMILES for [4-[N-ethyl-C-(4-fluorophenyl)carbonimidoyl]piperidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone is CC/N=C(\c1ccc(F)cc1)C1CCN(C(=O)C2CCN(Cc3ccncc3)CC2)CC1.
What is the InChIKey of [4-[N-ethyl-C-(4-fluorophenyl)carbonimidoyl]piperidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone?
The InChIKey is JNYHKMMJHCQEND-XLVZBRSZSA-N. The full InChI is InChI=1S/C26H33FN4O/c1-2-29-25(21-3-5-24(27)6-4-21)22-11-17-31(18-12-22)26(32)23-9-15-30(16-10-23)19-20-7-13-28-14-8-20/h3-8,13-14,22-23H,2,9-12,15-19H2,1H3/b29-25+.
What are the key properties of [4-[N-ethyl-C-(4-fluorophenyl)carbonimidoyl]piperidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone?
[4-[N-ethyl-C-(4-fluorophenyl)carbonimidoyl]piperidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone has a molecular weight of 436.58 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[N-ethyl-C-(4-fluorophenyl)carbonimidoyl]piperidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone is sourced from PubChem (CID 142137779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).