4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]piperidine-1-carboxamide

C19H28ClFN4O — CID 148925175

IUPAC4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(NCCC2CCC(c3ncc(F)cc3Cl)CC2)CC1
InChIInChI=1S/C19H28ClFN4O/c20-17-11-15(21)12-24-18(17)14-3-1-13(2-4-14)5-8-23-16-6-9-25(10-7-16)19(22)26/h11-14,16,23H,1-10H2,(H2,22,26)
InChIKeyPKVSHKUUPFBJES-UHFFFAOYSA-N
MW382.91 g/mol
LogP3.67
Rot. Bonds5

About 4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]piperidine-1-carboxamide

4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]piperidine-1-carboxamide (PubChem CID 148925175) has the molecular formula C19H28ClFN4O and a molecular weight of 382.91 g/mol. Its IUPAC name is 4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]piperidine-1-carboxamide
PubChem CID148925175
Molecular FormulaC19H28ClFN4O
Molecular Weight382.91 g/mol
Exact Mass382.19
IUPAC Name4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(NCCC2CCC(c3ncc(F)cc3Cl)CC2)CC1
InChIInChI=1S/C19H28ClFN4O/c20-17-11-15(21)12-24-18(17)14-3-1-13(2-4-14)5-8-23-16-6-9-25(10-7-16)19(22)26/h11-14,16,23H,1-10H2,(H2,22,26)
InChIKeyPKVSHKUUPFBJES-UHFFFAOYSA-N
XLogP3.67
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.91
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]piperidine-1-carboxamide?
The IUPAC name of 4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]piperidine-1-carboxamide (CID 148925175) is 4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]piperidine-1-carboxamide?
The canonical SMILES for 4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]piperidine-1-carboxamide is NC(=O)N1CCC(NCCC2CCC(c3ncc(F)cc3Cl)CC2)CC1.
What is the InChIKey of 4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]piperidine-1-carboxamide?
The InChIKey is PKVSHKUUPFBJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClFN4O/c20-17-11-15(21)12-24-18(17)14-3-1-13(2-4-14)5-8-23-16-6-9-25(10-7-16)19(22)26/h11-14,16,23H,1-10H2,(H2,22,26).
What are the key properties of 4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]piperidine-1-carboxamide?
4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]piperidine-1-carboxamide has a molecular weight of 382.91 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]piperidine-1-carboxamide is sourced from PubChem (CID 148925175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).