(3R)-1-cycloheptyl-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide

C19H28N4O2 — CID 26328640

IUPAC(3R)-1-cycloheptyl-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
SMILESCN(Cc1cnccn1)C(=O)[C@@H]1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C19H28N4O2/c1-22(14-16-12-20-10-11-21-16)19(25)15-8-9-18(24)23(13-15)17-6-4-2-3-5-7-17/h10-12,15,17H,2-9,13-14H2,1H3/t15-/m1/s1
InChIKeyYRFUZQBWZBJQSR-OAHLLOKOSA-N
MW344.46 g/mol
LogP2.40
Rot. Bonds4

About (3R)-1-cycloheptyl-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide

(3R)-1-cycloheptyl-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 26328640) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (3R)-1-cycloheptyl-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cycloheptyl-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID26328640
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(3R)-1-cycloheptyl-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
SMILESCN(Cc1cnccn1)C(=O)[C@@H]1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C19H28N4O2/c1-22(14-16-12-20-10-11-21-16)19(25)15-8-9-18(24)23(13-15)17-6-4-2-3-5-7-17/h10-12,15,17H,2-9,13-14H2,1H3/t15-/m1/s1
InChIKeyYRFUZQBWZBJQSR-OAHLLOKOSA-N
XLogP2.40
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-cycloheptyl-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-cycloheptyl-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide (CID 26328640) is (3R)-1-cycloheptyl-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cycloheptyl-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-cycloheptyl-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide is CN(Cc1cnccn1)C(=O)[C@@H]1CCC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of (3R)-1-cycloheptyl-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is YRFUZQBWZBJQSR-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-22(14-16-12-20-10-11-21-16)19(25)15-8-9-18(24)23(13-15)17-6-4-2-3-5-7-17/h10-12,15,17H,2-9,13-14H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-1-cycloheptyl-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide?
(3R)-1-cycloheptyl-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cycloheptyl-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 26328640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).