(3R)-1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide

C18H28FN5O2 — CID 95445436

IUPAC(3R)-1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCOCCNC(=O)[C@@H]1CCCN(C2CCN(c3ncc(F)cn3)CC2)C1
InChIInChI=1S/C18H28FN5O2/c1-26-10-6-20-17(25)14-3-2-7-24(13-14)16-4-8-23(9-5-16)18-21-11-15(19)12-22-18/h11-12,14,16H,2-10,13H2,1H3,(H,20,25)/t14-/m1/s1
InChIKeyGYJVTLHCQKVRKI-CQSZACIVSA-N
MW365.45 g/mol
LogP1.06
Rot. Bonds6

About (3R)-1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide

(3R)-1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide (PubChem CID 95445436) has the molecular formula C18H28FN5O2 and a molecular weight of 365.45 g/mol. Its IUPAC name is (3R)-1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
PubChem CID95445436
Molecular FormulaC18H28FN5O2
Molecular Weight365.45 g/mol
Exact Mass365.22
IUPAC Name(3R)-1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCOCCNC(=O)[C@@H]1CCCN(C2CCN(c3ncc(F)cn3)CC2)C1
InChIInChI=1S/C18H28FN5O2/c1-26-10-6-20-17(25)14-3-2-7-24(13-14)16-4-8-23(9-5-16)18-21-11-15(19)12-22-18/h11-12,14,16H,2-10,13H2,1H3,(H,20,25)/t14-/m1/s1
InChIKeyGYJVTLHCQKVRKI-CQSZACIVSA-N
XLogP1.06
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide (CID 95445436) is (3R)-1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide is COCCNC(=O)[C@@H]1CCCN(C2CCN(c3ncc(F)cn3)CC2)C1.
What is the InChIKey of (3R)-1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
The InChIKey is GYJVTLHCQKVRKI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H28FN5O2/c1-26-10-6-20-17(25)14-3-2-7-24(13-14)16-4-8-23(9-5-16)18-21-11-15(19)12-22-18/h11-12,14,16H,2-10,13H2,1H3,(H,20,25)/t14-/m1/s1.
What are the key properties of (3R)-1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
(3R)-1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide has a molecular weight of 365.45 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 95445436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).